(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C14H24N2 — CID 81384664

IUPAC(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(C)c1)C1CCCCC1
InChIInChI=1S/C14H24N2/c1-12(14-6-4-3-5-7-14)15-10-13-8-9-16(2)11-13/h8-9,11-12,14-15H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyZLINFXLRPHRBRF-GFCCVEGCSA-N
MW220.36 g/mol
LogP3.08
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 81384664) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID81384664
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(C)c1)C1CCCCC1
InChIInChI=1S/C14H24N2/c1-12(14-6-4-3-5-7-14)15-10-13-8-9-16(2)11-13/h8-9,11-12,14-15H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyZLINFXLRPHRBRF-GFCCVEGCSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 81384664) is (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is C[C@@H](NCc1ccn(C)c1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is ZLINFXLRPHRBRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(14-6-4-3-5-7-14)15-10-13-8-9-16(2)11-13/h8-9,11-12,14-15H,3-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 220.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81384664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).