(4-cyclohexyl-1H-pyrrol-3-yl)methanamine

C11H18N2 — CID 82503613

IUPAC(4-cyclohexyl-1H-pyrrol-3-yl)methanamine
SMILESNCc1c[nH]cc1C1CCCCC1
InChIInChI=1S/C11H18N2/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9/h7-9,13H,1-6,12H2
InChIKeyGCWBHZYGMXVHCO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.52
Rot. Bonds2

About (4-cyclohexyl-1H-pyrrol-3-yl)methanamine

(4-cyclohexyl-1H-pyrrol-3-yl)methanamine (PubChem CID 82503613) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4-cyclohexyl-1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexyl-1H-pyrrol-3-yl)methanamine
PubChem CID82503613
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4-cyclohexyl-1H-pyrrol-3-yl)methanamine
SMILESNCc1c[nH]cc1C1CCCCC1
InChIInChI=1S/C11H18N2/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9/h7-9,13H,1-6,12H2
InChIKeyGCWBHZYGMXVHCO-UHFFFAOYSA-N
XLogP2.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Diethylpyrrole
CID 10909563
3-ethyl-4-methyl-1H-pyrrole
CID 10877070
3-Methyl-4-phenylpyrrole
CID 15164561
4,5,6,7-Tetrahydroisoindole
CID 11788296
3-n-Octylpyrrole
CID 14510078
4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571645
3-Heptylpyrrole
CID 258374
3-Ethyl-4-(trifluoromethyl)-1H-pyrrole
CID 14238364
4,7-Dihydro-2H-isoindole
CID 16753087
3,4-Diphenyl-1H-pyrrole
CID 12344628
4-Phenyl-1H-pyrrole-3-carbonitrile
CID 3721460
4,7-Dihydro-2H-4,7-ethanoisoindole
CID 14025669

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-1H-pyrrol-3-yl)methanamine?
The IUPAC name of (4-cyclohexyl-1H-pyrrol-3-yl)methanamine (CID 82503613) is (4-cyclohexyl-1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for (4-cyclohexyl-1H-pyrrol-3-yl)methanamine?
The canonical SMILES for (4-cyclohexyl-1H-pyrrol-3-yl)methanamine is NCc1c[nH]cc1C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-1H-pyrrol-3-yl)methanamine?
The InChIKey is GCWBHZYGMXVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9/h7-9,13H,1-6,12H2.
What are the key properties of (4-cyclohexyl-1H-pyrrol-3-yl)methanamine?
(4-cyclohexyl-1H-pyrrol-3-yl)methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 82503613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).