(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine

C14H18N2O — CID 105488426

IUPAC(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine
SMILESCOc1ccc2cc3n(c2c1)CCCC3CN
InChIInChI=1S/C14H18N2O/c1-17-12-5-4-10-7-13-11(9-15)3-2-6-16(13)14(10)8-12/h4-5,7-8,11H,2-3,6,9,15H2,1H3
InChIKeyKVSJZHOPANIIFB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds2

About (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine

(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine (PubChem CID 105488426) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine
PubChem CID105488426
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine
SMILESCOc1ccc2cc3n(c2c1)CCCC3CN
InChIInChI=1S/C14H18N2O/c1-17-12-5-4-10-7-13-11(9-15)3-2-6-16(13)14(10)8-12/h4-5,7-8,11H,2-3,6,9,15H2,1H3
InChIKeyKVSJZHOPANIIFB-UHFFFAOYSA-N
XLogP2.49
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105456235
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-ol
CID 115022303
2-(7-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanamine
CID 84741765
(5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105469922
7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105454435
(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
CID 10563187
(2-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105488424
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 117152359
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine?
The IUPAC name of (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine (CID 105488426) is (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine.
What is the SMILES notation for (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine?
The canonical SMILES for (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine is COc1ccc2cc3n(c2c1)CCCC3CN.
What is the InChIKey of (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine?
The InChIKey is KVSJZHOPANIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-12-5-4-10-7-13-11(9-15)3-2-6-16(13)14(10)8-12/h4-5,7-8,11H,2-3,6,9,15H2,1H3.
What are the key properties of (3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine?
(3-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.49, 2 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-tetrahydropyrido[1,2-a]indol-9-yl)methanamine is sourced from PubChem (CID 105488426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).