2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine

C15H21N5 — CID 66131946

IUPAC2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cncn2CCC)c1N
InChIInChI=1S/C15H21N5/c1-3-7-19-10-17-9-12(19)13-14(16)20(8-4-2)15(18-13)11-5-6-11/h4,9-11H,2-3,5-8,16H2,1H3
InChIKeyHSCXIJORKYBRBA-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.80
Rot. Bonds6

About 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine

2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine (PubChem CID 66131946) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
PubChem CID66131946
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cncn2CCC)c1N
InChIInChI=1S/C15H21N5/c1-3-7-19-10-17-9-12(19)13-14(16)20(8-4-2)15(18-13)11-5-6-11/h4,9-11H,2-3,5-8,16H2,1H3
InChIKeyHSCXIJORKYBRBA-UHFFFAOYSA-N
XLogP2.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-3-ethyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129956
2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130948
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
2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62220582
2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62220393
2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 55048790
3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
2-methyl-3-(2-methylpropyl)-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130350
2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050184
5-(3-chloro-4-methylphenyl)-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
CID 106818290
2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131753

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine (CID 66131946) is 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine is C=CCn1c(C2CC2)nc(-c2cncn2CCC)c1N.
What is the InChIKey of 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The InChIKey is HSCXIJORKYBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-7-19-10-17-9-12(19)13-14(16)20(8-4-2)15(18-13)11-5-6-11/h4,9-11H,2-3,5-8,16H2,1H3.
What are the key properties of 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66131946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).