(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine

C13H16N2 — CID 171225195

IUPAC(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h2,5-9,12,15H,1,3-4,14H2/t12-/m0/s1
InChIKeyFLGRYSVPNKHJFT-LBPRGKRZSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds4

About (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine

(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine (PubChem CID 171225195) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
PubChem CID171225195
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h2,5-9,12,15H,1,3-4,14H2/t12-/m0/s1
InChIKeyFLGRYSVPNKHJFT-LBPRGKRZSA-N
XLogP3.13
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
CID 54056751
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
ethyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate
CID 171225204

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine?
The IUPAC name of (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine (CID 171225195) is (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine.
What is the SMILES notation for (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine?
The canonical SMILES for (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine is C=CCC[C@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine?
The InChIKey is FLGRYSVPNKHJFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-4-12(14)11-6-5-10-7-8-15-13(10)9-11/h2,5-9,12,15H,1,3-4,14H2/t12-/m0/s1.
What are the key properties of (1S)-1-(1H-indol-6-yl)pent-4-en-1-amine?
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine has a molecular weight of 200.28 g/mol, XLogP of 3.13, 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)pent-4-en-1-amine is sourced from PubChem (CID 171225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).