(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C13H22N2 — CID 81387504

IUPAC(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cc[nH]c1)C1CCCCC1
InChIInChI=1S/C13H22N2/c1-11(13-5-3-2-4-6-13)15-10-12-7-8-14-9-12/h7-9,11,13-15H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyGIMMJHVGDVVXMA-NSHDSACASA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds4

About (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 81387504) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID81387504
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cc[nH]c1)C1CCCCC1
InChIInChI=1S/C13H22N2/c1-11(13-5-3-2-4-6-13)15-10-12-7-8-14-9-12/h7-9,11,13-15H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyGIMMJHVGDVVXMA-NSHDSACASA-N
XLogP3.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(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
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 81384664
(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
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 81387504) is (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is C[C@H](NCc1cc[nH]c1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is GIMMJHVGDVVXMA-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2/c1-11(13-5-3-2-4-6-13)15-10-12-7-8-14-9-12/h7-9,11,13-15H,2-6,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 81387504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).