3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine

C13H18N2O — CID 105472853

IUPAC3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESCOc1ccc2c(c1)N1CCC(N)CC1C2
InChIInChI=1S/C13H18N2O/c1-16-12-3-2-9-6-11-7-10(14)4-5-15(11)13(9)8-12/h2-3,8,10-11H,4-7,14H2,1H3
InChIKeySXQUMWKXHNXWES-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.55
Rot. Bonds1

About 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine

3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (PubChem CID 105472853) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.

Molecular Properties

Compound Name3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
PubChem CID105472853
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESCOc1ccc2c(c1)N1CCC(N)CC1C2
InChIInChI=1S/C13H18N2O/c1-16-12-3-2-9-6-11-7-10(14)4-5-15(11)13(9)8-12/h2-3,8,10-11H,4-7,14H2,1H3
InChIKeySXQUMWKXHNXWES-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105454751
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740546
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 11148681
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967
6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
CID 57250330
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738406
9-(2,4-dimethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720607
7-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833452
1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82250371
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The IUPAC name of 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (CID 105472853) is 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.
What is the SMILES notation for 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The canonical SMILES for 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine is COc1ccc2c(c1)N1CCC(N)CC1C2.
What is the InChIKey of 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The InChIKey is SXQUMWKXHNXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-12-3-2-9-6-11-7-10(14)4-5-15(11)13(9)8-12/h2-3,8,10-11H,4-7,14H2,1H3.
What are the key properties of 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine has a molecular weight of 218.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine is sourced from PubChem (CID 105472853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).