N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine

C14H25N3 — CID 55177673

IUPACN-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-11(2)8-15-9-13-10-16-14(17-13)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyQCKWRTZMTMYFMZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 55177673) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID55177673
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-11(2)8-15-9-13-10-16-14(17-13)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyQCKWRTZMTMYFMZ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methimepip
CID 11313837
4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
CID 44406484
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10332982
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
3-[2-(1H-imidazol-5-yl)ethyl]piperidine
CID 11171320
4-(2-(1H-Imidazol-4-yl)ethyl)-1-ethylpiperidine
CID 11337639
4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine
CID 11474535
4-[2-(1H-imidazol-5-yl)ethyl]-1-methylpiperidine
CID 11739735
(1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1-(1H-imidazol-4-yl)cyclopropane
CID 16006947
(1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1H-imidazol-4yl)cyclopropane
CID 16082822

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine (CID 55177673) is N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(C2CCCCC2)[nH]1.
What is the InChIKey of N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is QCKWRTZMTMYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)8-15-9-13-10-16-14(17-13)12-6-4-3-5-7-12/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55177673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).