(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride

C14H21ClN2 — CID 171197968

IUPAC(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C14H20N2.ClH/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14;/h5-7,9-10,13,16H,2-4,8,15H2,1H3;1H/t13-;/m1./s1
InChIKeyOUEBBVYTIDUAPE-BTQNPOSSSA-N
MW252.79 g/mol
LogP4.17
Rot. Bonds5

About (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride

(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride (PubChem CID 171197968) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
PubChem CID171197968
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C14H20N2.ClH/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14;/h5-7,9-10,13,16H,2-4,8,15H2,1H3;1H/t13-;/m1./s1
InChIKeyOUEBBVYTIDUAPE-BTQNPOSSSA-N
XLogP4.17
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
CID 163917154
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
1-(2-methylphenyl)nonan-1-amine
CID 63412316

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride (CID 171197968) is (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride?
The InChIKey is OUEBBVYTIDUAPE-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-2-3-4-8-13(15)12-10-16-14-9-6-5-7-11(12)14;/h5-7,9-10,13,16H,2-4,8,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride?
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171197968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).