1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine

C86H176N30O2S2 — CID 161036365

IUPAC1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine
SMILESCCN(C)C1=NCCC1.CCN(C)C1=NCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCN1.CCN(C)C1=NCCCO1.CCN(C)C1=NCCCS1.CCN(C)C1=NCCN1.CCN(C)C1=NCCO1.CCN(C)C1=NCCS1.CCN1CCN(C)CC1.CCN1CCN=C1N.CCn1ccc(N)n1
InChIInChI=1S/2C8H16N2.C7H15N3.C7H14N2O.C7H14N2S.C7H16N2.2C7H14N2.C6H13N3.C6H12N2O.C6H12N2S.C5H11N3.C5H9N3/c2*1-3-10(2)8-6-4-5-7-9-8;1-3-10(2)7-8-5-4-6-9-7;2*1-3-9(2)7-8-5-4-6-10-7;1-3-9-6-4-8(2)5-7-9;2*1-3-9(2)7-5-4-6-8-7;1-3-9(2)6-7-4-5-8-6;2*1-3-8(2)6-7-4-5-9-6;1-2-8-4-3-7-5(8)6;1-2-8-4-3-5(6)7-8/h2*3-7H2,1-2H3;3-6H2,1-2H3,(H,8,9);2*3-6H2,1-2H3;3-7H2,1-2H3;2*3-6H2,1-2H3;3-5H2,1-2H3,(H,7,8);2*3-5H2,1-2H3;2-4H2,1H3,(H2,6,7);3-4H,2H2,1H3,(H2,6,7)
InChIKeyUAHMLKCLVVSMAP-UHFFFAOYSA-N
MW1726.70 g/mol
LogP9.37
Rot. Bonds13

About 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine

1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine (PubChem CID 161036365) has the molecular formula C86H176N30O2S2 and a molecular weight of 1726.70 g/mol. Its IUPAC name is 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine
PubChem CID161036365
Molecular FormulaC86H176N30O2S2
Molecular Weight1726.70 g/mol
Exact Mass1725.40
IUPAC Name1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine
SMILESCCN(C)C1=NCCC1.CCN(C)C1=NCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCN1.CCN(C)C1=NCCCO1.CCN(C)C1=NCCCS1.CCN(C)C1=NCCN1.CCN(C)C1=NCCO1.CCN(C)C1=NCCS1.CCN1CCN(C)CC1.CCN1CCN=C1N.CCn1ccc(N)n1
InChIInChI=1S/2C8H16N2.C7H15N3.C7H14N2O.C7H14N2S.C7H16N2.2C7H14N2.C6H13N3.C6H12N2O.C6H12N2S.C5H11N3.C5H9N3/c2*1-3-10(2)8-6-4-5-7-9-8;1-3-10(2)7-8-5-4-6-9-7;2*1-3-9(2)7-8-5-4-6-10-7;1-3-9-6-4-8(2)5-7-9;2*1-3-9(2)7-5-4-6-8-7;1-3-9(2)6-7-4-5-8-6;2*1-3-8(2)6-7-4-5-9-6;1-2-8-4-3-7-5(8)6;1-2-8-4-3-5(6)7-8/h2*3-7H2,1-2H3;3-6H2,1-2H3,(H,8,9);2*3-6H2,1-2H3;3-7H2,1-2H3;2*3-6H2,1-2H3;3-5H2,1-2H3,(H,7,8);2*3-5H2,1-2H3;2-4H2,1H3,(H2,6,7);3-4H,2H2,1H3,(H2,6,7)
InChIKeyUAHMLKCLVVSMAP-UHFFFAOYSA-N
XLogP9.37
TPSA290.46 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds13
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.70
LogP ≤ 59.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine (CID 161036365) is 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine is CCN(C)C1=NCCC1.CCN(C)C1=NCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCC1.CCN(C)C1=NCCCN1.CCN(C)C1=NCCCO1.CCN(C)C1=NCCCS1.CCN(C)C1=NCCN1.CCN(C)C1=NCCO1.CCN(C)C1=NCCS1.CCN1CCN(C)CC1.CCN1CCN=C1N.CCn1ccc(N)n1.
What is the InChIKey of 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine?
The InChIKey is UAHMLKCLVVSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C7H15N3.C7H14N2O.C7H14N2S.C7H16N2.2C7H14N2.C6H13N3.C6H12N2O.C6H12N2S.C5H11N3.C5H9N3/c2*1-3-10(2)8-6-4-5-7-9-8;1-3-10(2)7-8-5-4-6-9-7;2*1-3-9(2)7-8-5-4-6-10-7;1-3-9-6-4-8(2)5-7-9;2*1-3-9(2)7-5-4-6-8-7;1-3-9(2)6-7-4-5-8-6;2*1-3-8(2)6-7-4-5-9-6;1-2-8-4-3-7-5(8)6;1-2-8-4-3-5(6)7-8/h2*3-7H2,1-2H3;3-6H2,1-2H3,(H,8,9);2*3-6H2,1-2H3;3-7H2,1-2H3;2*3-6H2,1-2H3;3-5H2,1-2H3,(H,7,8);2*3-5H2,1-2H3;2-4H2,1H3,(H2,6,7);3-4H,2H2,1H3,(H2,6,7).
What are the key properties of 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine?
1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine has a molecular weight of 1726.70 g/mol, XLogP of 9.37, 13 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dihydroimidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;bis(N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine);N-ethyl-N-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine;1-ethyl-4-methylpiperazine;bis(N-ethyl-N-methyl-2,3,4,5-tetrahydropyridin-6-amine);N-ethyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;1-ethylpyrazol-3-amine is sourced from PubChem (CID 161036365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).