(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride

C14H21ClN2 — CID 171225201

IUPAC(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@H](N)c1ccc2cc[nH]c2c1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-10(2)3-6-13(15)12-5-4-11-7-8-16-14(11)9-12;/h4-5,7-10,13,16H,3,6,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyVGUFUBSXRJIVBW-ZOWNYOTGSA-N
MW252.79 g/mol
LogP4.03
Rot. Bonds4

About (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride

(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171225201) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171225201
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@H](N)c1ccc2cc[nH]c2c1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-10(2)3-6-13(15)12-5-4-11-7-8-16-14(11)9-12;/h4-5,7-10,13,16H,3,6,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyVGUFUBSXRJIVBW-ZOWNYOTGSA-N
XLogP4.03
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.03
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
(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
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
CID 54056751
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
CID 171225195
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
methyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate;hydrochloride
CID 171241467
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride (CID 171225201) is (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@H](N)c1ccc2cc[nH]c2c1.Cl.
What is the InChIKey of (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is VGUFUBSXRJIVBW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-10(2)3-6-13(15)12-5-4-11-7-8-16-14(11)9-12;/h4-5,7-10,13,16H,3,6,15H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride?
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 4.03, 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)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171225201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).