(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine

C14H20N2O — CID 171199728

IUPAC(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H20N2O/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14/h6-9,13,16H,3-5,15H2,1-2H3/t13-/m1/s1
InChIKeyKGVBLEMGRMRJIP-CYBMUJFWSA-N
MW232.33 g/mol
LogP3.37
Rot. Bonds5

About (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine

(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine (PubChem CID 171199728) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
PubChem CID171199728
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H20N2O/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14/h6-9,13,16H,3-5,15H2,1-2H3/t13-/m1/s1
InChIKeyKGVBLEMGRMRJIP-CYBMUJFWSA-N
XLogP3.37
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine (CID 171199728) is (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine is CCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine?
The InChIKey is KGVBLEMGRMRJIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14/h6-9,13,16H,3-5,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine?
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 171199728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).