2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

C12H20N6 — CID 66131753

IUPAC2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCc1nc(-c2cncn2CCC)c(N)n1N
InChIInChI=1S/C12H20N6/c1-3-5-10-16-11(12(13)18(10)14)9-7-15-8-17(9)6-4-2/h7-8H,3-6,13-14H2,1-2H3
InChIKeyCYFYCEUGXGAPJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds5

About 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (PubChem CID 66131753) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
PubChem CID66131753
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCc1nc(-c2cncn2CCC)c(N)n1N
InChIInChI=1S/C12H20N6/c1-3-5-10-16-11(12(13)18(10)14)9-7-15-8-17(9)6-4-2/h7-8H,3-6,13-14H2,1-2H3
InChIKeyCYFYCEUGXGAPJD-UHFFFAOYSA-N
XLogP1.41
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131553
2-cyclohexyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66132148
3-cyclopropyl-5-(3-ethylimidazol-4-yl)-2-propylimidazol-4-amine
CID 66135479
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131156
2-methyl-3-(2-methylpropyl)-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130350
2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130948
8-bromo-2-(3-propylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 66131564
2-cyclopentyl-3-ethyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129956
3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
CID 66134443
2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66131946
3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
CID 66161916

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The IUPAC name of 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (CID 66131753) is 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.
What is the SMILES notation for 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The canonical SMILES for 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is CCCc1nc(-c2cncn2CCC)c(N)n1N.
What is the InChIKey of 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The InChIKey is CYFYCEUGXGAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-3-5-10-16-11(12(13)18(10)14)9-7-15-8-17(9)6-4-2/h7-8H,3-6,13-14H2,1-2H3.
What are the key properties of 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is sourced from PubChem (CID 66131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).