1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine

C13H26N4O — CID 106582025

IUPAC1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine
SMILESCCN(C)CC(Cn1ccnc1NC(C)C)OC
InChIInChI=1S/C13H26N4O/c1-6-16(4)9-12(18-5)10-17-8-7-14-13(17)15-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3,(H,14,15)
InChIKeyPOPAEJPXVYNFSS-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.67
Rot. Bonds8

About 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine

1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106582025) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106582025
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine
SMILESCCN(C)CC(Cn1ccnc1NC(C)C)OC
InChIInChI=1S/C13H26N4O/c1-6-16(4)9-12(18-5)10-17-8-7-14-13(17)15-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3,(H,14,15)
InChIKeyPOPAEJPXVYNFSS-UHFFFAOYSA-N
XLogP1.67
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-(2-piperidin-1-ylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106567940
1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106582032
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
CID 120590996
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106579477
N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106582043
1-(2-methoxybutyl)imidazol-2-amine
CID 165482307
1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567183
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine (CID 106582025) is 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine is CCN(C)CC(Cn1ccnc1NC(C)C)OC.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is POPAEJPXVYNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-16(4)9-12(18-5)10-17-8-7-14-13(17)15-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3,(H,14,15).
What are the key properties of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine?
1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106582025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).