5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine

C15H19N5 — CID 66162116

IUPAC5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C15H19N5/c1-3-5-13-18-14(15(16)19(13)8-4-2)12-9-17-10-20(12)11-6-7-11/h2,9-11H,3,5-8,16H2,1H3
InChIKeyHHMHWIAJTGHRSV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.25
Rot. Bonds5

About 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine

5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 66162116) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
PubChem CID66162116
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C15H19N5/c1-3-5-13-18-14(15(16)19(13)8-4-2)12-9-17-10-20(12)11-6-7-11/h2,9-11H,3,5-8,16H2,1H3
InChIKeyHHMHWIAJTGHRSV-UHFFFAOYSA-N
XLogP2.25
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 66164696
3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
CID 66161916
5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 66164499
5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 79971882
3-cyclopropyl-5-(3-ethylimidazol-4-yl)-2-propylimidazol-4-amine
CID 66135479
3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
CID 103572897
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295944
3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine
CID 66161913
3-cyclopropyl-5-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66162715
4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 66163524

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine (CID 66162116) is 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2cncn2C2CC2)c1N.
What is the InChIKey of 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is HHMHWIAJTGHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-5-13-18-14(15(16)19(13)8-4-2)12-9-17-10-20(12)11-6-7-11/h2,9-11H,3,5-8,16H2,1H3.
What are the key properties of 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 66162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).