(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine

C13H23N3 — CID 82373843

IUPAC(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
SMILESCC(C)c1nc(C2CCCCC2)[nH]c1CN
InChIInChI=1S/C13H23N3/c1-9(2)12-11(8-14)15-13(16-12)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyFTGMQLISSNFLNK-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.04
Rot. Bonds3

About (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine

(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine (PubChem CID 82373843) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
PubChem CID82373843
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
SMILESCC(C)c1nc(C2CCCCC2)[nH]c1CN
InChIInChI=1S/C13H23N3/c1-9(2)12-11(8-14)15-13(16-12)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyFTGMQLISSNFLNK-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-5-cyclopentyl-4-propan-2-yl-1H-imidazole
CID 105493632
(2,4-dicyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373863
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373833
2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole
CID 105474943
(4-cyclopentyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373877
2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
CID 121213122
2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
CID 82373662
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
CID 96589936
(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
CID 105479719
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine (CID 82373843) is (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine is CC(C)c1nc(C2CCCCC2)[nH]c1CN.
What is the InChIKey of (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine?
The InChIKey is FTGMQLISSNFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)12-11(8-14)15-13(16-12)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine?
(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 82373843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).