1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine

C16H27N3 — CID 106573524

IUPAC1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(CC1CC1)Nc1nc(C)cn1C1CCCC1
InChIInChI=1S/C16H27N3/c1-3-14(10-13-8-9-13)18-16-17-12(2)11-19(16)15-6-4-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18)
InChIKeyACMLWPXUIYPYSX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds6

About 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine

1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106573524) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
PubChem CID106573524
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
SMILESCCC(CC1CC1)Nc1nc(C)cn1C1CCCC1
InChIInChI=1S/C16H27N3/c1-3-14(10-13-8-9-13)18-16-17-12(2)11-19(16)15-6-4-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18)
InChIKeyACMLWPXUIYPYSX-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine (CID 106573524) is 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine is CCC(CC1CC1)Nc1nc(C)cn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is ACMLWPXUIYPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14(10-13-8-9-13)18-16-17-12(2)11-19(16)15-6-4-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine?
1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106573524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).