4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine

C10H20N4O — CID 114995342

IUPAC4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCCN(c1nc(C)[nH]c1N)C(C)COC
InChIInChI=1S/C10H20N4O/c1-5-14(7(2)6-15-4)10-9(11)12-8(3)13-10/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyPNAJNLWYICGIOP-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.16
Rot. Bonds5

About 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine

4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 114995342) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
PubChem CID114995342
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCCN(c1nc(C)[nH]c1N)C(C)COC
InChIInChI=1S/C10H20N4O/c1-5-14(7(2)6-15-4)10-9(11)12-8(3)13-10/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyPNAJNLWYICGIOP-UHFFFAOYSA-N
XLogP1.16
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine (CID 114995342) is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine is CCN(c1nc(C)[nH]c1N)C(C)COC.
What is the InChIKey of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is PNAJNLWYICGIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-5-14(7(2)6-15-4)10-9(11)12-8(3)13-10/h7H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine?
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 212.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114995342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).