N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine

C16H27N3 — CID 106574575

IUPACN-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine
SMILESCC1CCC(n2ccnc2NC2CCCC2)CC1C
InChIInChI=1S/C16H27N3/c1-12-7-8-15(11-13(12)2)19-10-9-17-16(19)18-14-5-3-4-6-14/h9-10,12-15H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyDPAKEAZMWRJJME-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds3

About N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine

N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine (PubChem CID 106574575) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine
PubChem CID106574575
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine
SMILESCC1CCC(n2ccnc2NC2CCCC2)CC1C
InChIInChI=1S/C16H27N3/c1-12-7-8-15(11-13(12)2)19-10-9-17-16(19)18-14-5-3-4-6-14/h9-10,12-15H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyDPAKEAZMWRJJME-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine (CID 106574575) is N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine is CC1CCC(n2ccnc2NC2CCCC2)CC1C.
What is the InChIKey of N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine?
The InChIKey is DPAKEAZMWRJJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-7-8-15(11-13(12)2)19-10-9-17-16(19)18-14-5-3-4-6-14/h9-10,12-15H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine?
N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,4-dimethylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106574575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).