N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine

C14H25N3 — CID 107428555

IUPACN-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2cnc[nH]2)C1
InChIInChI=1S/C14H25N3/c1-11(2)6-12-4-3-5-13(7-12)16-9-14-8-15-10-17-14/h8,10-13,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyGTCHOUZTXLMFKR-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.10
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine

N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428555) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428555
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2cnc[nH]2)C1
InChIInChI=1S/C14H25N3/c1-11(2)6-12-4-3-5-13(7-12)16-9-14-8-15-10-17-14/h8,10-13,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyGTCHOUZTXLMFKR-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-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380119
N-(1H-imidazol-5-ylmethyl)-6-methylpiperidin-3-amine
CID 131219532
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
CID 30726777
2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115690231
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
N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 55109451
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428555) is N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCc2cnc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is GTCHOUZTXLMFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)6-12-4-3-5-13(7-12)16-9-14-8-15-10-17-14/h8,10-13,16H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine?
N-(1H-imidazol-5-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-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).