(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine

C12H20N2 — CID 81396209

IUPAC(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)C1CCCC1
InChIInChI=1S/C12H20N2/c1-10(11-5-2-3-6-11)14-9-12-7-4-8-13-12/h4,7-8,10-11,13-14H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyZFFBXOMEGDUOKV-SNVBAGLBSA-N
MW192.31 g/mol
LogP2.68
Rot. Bonds4

About (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine

(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 81396209) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID81396209
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)C1CCCC1
InChIInChI=1S/C12H20N2/c1-10(11-5-2-3-6-11)14-9-12-7-4-8-13-12/h4,7-8,10-11,13-14H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyZFFBXOMEGDUOKV-SNVBAGLBSA-N
XLogP2.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81391849
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 81396209) is (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine is C[C@@H](NCc1ccc[nH]1)C1CCCC1.
What is the InChIKey of (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is ZFFBXOMEGDUOKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(11-5-2-3-6-11)14-9-12-7-4-8-13-12/h4,7-8,10-11,13-14H,2-3,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine?
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 192.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81396209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).