N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine

C17H31N3 — CID 106568675

IUPACN-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
SMILESCc1cn(C(C)CCCC(C)C)c(NC2CCCC2)n1
InChIInChI=1S/C17H31N3/c1-13(2)8-7-9-15(4)20-12-14(3)18-17(20)19-16-10-5-6-11-16/h12-13,15-16H,5-11H2,1-4H3,(H,18,19)
InChIKeyNQBUGBNMGCGGOG-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.93
Rot. Bonds7

About N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine

N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine (PubChem CID 106568675) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
PubChem CID106568675
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
SMILESCc1cn(C(C)CCCC(C)C)c(NC2CCCC2)n1
InChIInChI=1S/C17H31N3/c1-13(2)8-7-9-15(4)20-12-14(3)18-17(20)19-16-10-5-6-11-16/h12-13,15-16H,5-11H2,1-4H3,(H,18,19)
InChIKeyNQBUGBNMGCGGOG-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine (CID 106568675) is N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine is Cc1cn(C(C)CCCC(C)C)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine?
The InChIKey is NQBUGBNMGCGGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)8-7-9-15(4)20-12-14(3)18-17(20)19-16-10-5-6-11-16/h12-13,15-16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine?
N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106568675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).