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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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).