N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride

C14H21ClN2 — CID 115606795

IUPACN-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C14H20N2.ClH/c1-3-13(4-2)16-10-12-7-5-6-11-8-9-15-14(11)12;/h5-9,13,15-16H,3-4,10H2,1-2H3;1H
InChIKeyZPLLBZLZYCORML-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.87
Rot. Bonds5

About N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride

N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride (PubChem CID 115606795) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
PubChem CID115606795
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C14H20N2.ClH/c1-3-13(4-2)16-10-12-7-5-6-11-8-9-15-14(11)12;/h5-9,13,15-16H,3-4,10H2,1-2H3;1H
InChIKeyZPLLBZLZYCORML-UHFFFAOYSA-N
XLogP3.87
TPSA27.82 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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
CID 115614559
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride?
The IUPAC name of N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride (CID 115606795) is N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride?
The canonical SMILES for N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride is CCC(CC)NCc1cccc2cc[nH]c12.Cl.
What is the InChIKey of N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride?
The InChIKey is ZPLLBZLZYCORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-3-13(4-2)16-10-12-7-5-6-11-8-9-15-14(11)12;/h5-9,13,15-16H,3-4,10H2,1-2H3;1H.
What are the key properties of N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride?
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride is sourced from PubChem (CID 115606795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).