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

C13H18N2 — CID 105454751

IUPAC3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESCc1ccc2c(c1)N1CCC(N)CC1C2
InChIInChI=1S/C13H18N2/c1-9-2-3-10-7-12-8-11(14)4-5-15(12)13(10)6-9/h2-3,6,11-12H,4-5,7-8,14H2,1H3
InChIKeyVXDCOTSGVOKREN-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.85
Rot. Bonds

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

3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (PubChem CID 105454751) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.

Molecular Properties

Compound Name3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
PubChem CID105454751
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESCc1ccc2c(c1)N1CCC(N)CC1C2
InChIInChI=1S/C13H18N2/c1-9-2-3-10-7-12-8-11(14)4-5-15(12)13(10)6-9/h2-3,6,11-12H,4-5,7-8,14H2,1H3
InChIKeyVXDCOTSGVOKREN-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105472853
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128
6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105443276
8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
CID 105454768
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 113284668
3-(2-methyl-2,3-dihydroindol-1-yl)cyclopentan-1-amine
CID 79464627
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)aziridine
CID 138553639
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The IUPAC name of 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (CID 105454751) is 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.
What is the SMILES notation for 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The canonical SMILES for 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine is Cc1ccc2c(c1)N1CCC(N)CC1C2.
What is the InChIKey of 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The InChIKey is VXDCOTSGVOKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-2-3-10-7-12-8-11(14)4-5-15(12)13(10)6-9/h2-3,6,11-12H,4-5,7-8,14H2,1H3.
What are the key properties of 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine has a molecular weight of 202.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine is sourced from PubChem (CID 105454751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).