(1S)-1-(1H-indol-6-yl)pentan-1-amine

C13H18N2 — CID 171225173

IUPAC(1S)-1-(1H-indol-6-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h5-9,12,15H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyLEHVCZAVOIQCMS-LBPRGKRZSA-N
MW202.30 g/mol
LogP3.36
Rot. Bonds4

About (1S)-1-(1H-indol-6-yl)pentan-1-amine

(1S)-1-(1H-indol-6-yl)pentan-1-amine (PubChem CID 171225173) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1S)-1-(1H-indol-6-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-indol-6-yl)pentan-1-amine
PubChem CID171225173
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1S)-1-(1H-indol-6-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h5-9,12,15H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyLEHVCZAVOIQCMS-LBPRGKRZSA-N
XLogP3.36
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
CID 54056751
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
CID 171225195
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
ethyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate
CID 171225204
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-6-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(1H-indol-6-yl)pentan-1-amine (CID 171225173) is (1S)-1-(1H-indol-6-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(1H-indol-6-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(1H-indol-6-yl)pentan-1-amine is CCCC[C@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S)-1-(1H-indol-6-yl)pentan-1-amine?
The InChIKey is LEHVCZAVOIQCMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h5-9,12,15H,2-4,14H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(1H-indol-6-yl)pentan-1-amine?
(1S)-1-(1H-indol-6-yl)pentan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-indol-6-yl)pentan-1-amine is sourced from PubChem (CID 171225173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).