2-propan-2-yl-4-propylimidazole-1,5-diamine

C9H18N4 — CID 62506447

IUPAC2-propan-2-yl-4-propylimidazole-1,5-diamine
SMILESCCCc1nc(C(C)C)n(N)c1N
InChIInChI=1S/C9H18N4/c1-4-5-7-8(10)13(11)9(12-7)6(2)3/h6H,4-5,10-11H2,1-3H3
InChIKeyBOHYHQACTCYRTI-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.25
Rot. Bonds3

About 2-propan-2-yl-4-propylimidazole-1,5-diamine

2-propan-2-yl-4-propylimidazole-1,5-diamine (PubChem CID 62506447) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-propan-2-yl-4-propylimidazole-1,5-diamine.

Molecular Properties

Compound Name2-propan-2-yl-4-propylimidazole-1,5-diamine
PubChem CID62506447
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-propan-2-yl-4-propylimidazole-1,5-diamine
SMILESCCCc1nc(C(C)C)n(N)c1N
InChIInChI=1S/C9H18N4/c1-4-5-7-8(10)13(11)9(12-7)6(2)3/h6H,4-5,10-11H2,1-3H3
InChIKeyBOHYHQACTCYRTI-UHFFFAOYSA-N
XLogP1.25
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62506448
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine
CID 62507108
3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090246
4-(4-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507931
5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62220670
3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
CID 62880244
4-tert-butyl-2-propylimidazole-1,5-diamine
CID 62506102
2,5-di(propan-2-yl)-3-propylimidazol-4-amine
CID 62219610
3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090250
2-cyclohexyl-4-pentylimidazole-1,5-diamine
CID 62507105
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propylimidazole-1,5-diamine?
The IUPAC name of 2-propan-2-yl-4-propylimidazole-1,5-diamine (CID 62506447) is 2-propan-2-yl-4-propylimidazole-1,5-diamine.
What is the SMILES notation for 2-propan-2-yl-4-propylimidazole-1,5-diamine?
The canonical SMILES for 2-propan-2-yl-4-propylimidazole-1,5-diamine is CCCc1nc(C(C)C)n(N)c1N.
What is the InChIKey of 2-propan-2-yl-4-propylimidazole-1,5-diamine?
The InChIKey is BOHYHQACTCYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-7-8(10)13(11)9(12-7)6(2)3/h6H,4-5,10-11H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propylimidazole-1,5-diamine?
2-propan-2-yl-4-propylimidazole-1,5-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propylimidazole-1,5-diamine is sourced from PubChem (CID 62506447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).