N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine

C14H25N3 — CID 107428515

IUPACN-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C14H25N3/c1-11(2)8-12-4-3-5-13(9-12)17-10-14-15-6-7-16-14/h6-7,11-13,17H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyBAIXZWZMTLXWQZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.10
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine

N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428515) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428515
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C14H25N3/c1-11(2)8-12-4-3-5-13(9-12)17-10-14-15-6-7-16-14/h6-7,11-13,17H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyBAIXZWZMTLXWQZ-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555
4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 62320916
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
CID 126782159
4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380119
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 94247341
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428515) is N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCc2ncc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is BAIXZWZMTLXWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)8-12-4-3-5-13(9-12)17-10-14-15-6-7-16-14/h6-7,11-13,17H,3-5,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).