3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine

C12H20N2 — CID 141374044

IUPAC3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine
SMILESCc1cccn1CC1CCCC(N)C1
InChIInChI=1S/C12H20N2/c1-10-4-3-7-14(10)9-11-5-2-6-12(13)8-11/h3-4,7,11-12H,2,5-6,8-9,13H2,1H3
InChIKeyXWNZDYBHCYLDFE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.31
Rot. Bonds2

About 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine

3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine (PubChem CID 141374044) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine
PubChem CID141374044
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine
SMILESCc1cccn1CC1CCCC(N)C1
InChIInChI=1S/C12H20N2/c1-10-4-3-7-14(10)9-11-5-2-6-12(13)8-11/h3-4,7,11-12H,2,5-6,8-9,13H2,1H3
InChIKeyXWNZDYBHCYLDFE-UHFFFAOYSA-N
XLogP2.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154568600
cis-(1R,3S)-3-[[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154567236
1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
3-(indazol-1-ylmethyl)cyclohexan-1-amine
CID 67985266
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117
N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
CID 63047164
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
ethane;3-ethylcyclohexan-1-amine
CID 164855900

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine (CID 141374044) is 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine is Cc1cccn1CC1CCCC(N)C1.
What is the InChIKey of 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is XWNZDYBHCYLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-4-3-7-14(10)9-11-5-2-6-12(13)8-11/h3-4,7,11-12H,2,5-6,8-9,13H2,1H3.
What are the key properties of 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine?
3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 141374044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).