3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol

C15H22N2O — CID 103701053

IUPAC3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H22N2O/c1-11(2)14(7-9-18)17-10-13-5-3-4-12-6-8-16-15(12)13/h3-6,8,11,14,16-18H,7,9-10H2,1-2H3
InChIKeyPSQWCRHAVUWLPW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds6

About 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol

3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol (PubChem CID 103701053) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
PubChem CID103701053
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H22N2O/c1-11(2)14(7-9-18)17-10-13-5-3-4-12-6-8-16-15(12)13/h3-6,8,11,14,16-18H,7,9-10H2,1-2H3
InChIKeyPSQWCRHAVUWLPW-UHFFFAOYSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 103761965
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
7-(4-methylpentyl)-1H-indole
CID 177208716
2-[2-(1H-indol-7-yl)ethylamino]ethanol
CID 22556872

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol (CID 103701053) is 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NCc1cccc2cc[nH]c12.
What is the InChIKey of 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol?
The InChIKey is PSQWCRHAVUWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)14(7-9-18)17-10-13-5-3-4-12-6-8-16-15(12)13/h3-6,8,11,14,16-18H,7,9-10H2,1-2H3.
What are the key properties of 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol?
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 103701053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).