7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol

C13H18N2O — CID 105472846

IUPAC7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol
SMILESNCC1CCC2Cc3cc(O)ccc3N2C1
InChIInChI=1S/C13H18N2O/c14-7-9-1-2-11-5-10-6-12(16)3-4-13(10)15(11)8-9/h3-4,6,9,11,16H,1-2,5,7-8,14H2
InChIKeyJGMATKZLCRFQHJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.49
Rot. Bonds1

About 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol

7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol (PubChem CID 105472846) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol.

Molecular Properties

Compound Name7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol
PubChem CID105472846
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol
SMILESNCC1CCC2Cc3cc(O)ccc3N2C1
InChIInChI=1S/C13H18N2O/c14-7-9-1-2-11-5-10-6-12(16)3-4-13(10)15(11)8-9/h3-4,6,9,11,16H,1-2,5,7-8,14H2
InChIKeyJGMATKZLCRFQHJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol with MolForge

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Related Compounds

(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105476002
2-amino-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-7-ol
CID 105456514
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718602
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzene-1,3-diol
CID 62069266
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128
(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol
CID 143961796
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 125447813
2-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 105437547

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol?
The IUPAC name of 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol (CID 105472846) is 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol.
What is the SMILES notation for 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol?
The canonical SMILES for 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol is NCC1CCC2Cc3cc(O)ccc3N2C1.
What is the InChIKey of 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol?
The InChIKey is JGMATKZLCRFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-7-9-1-2-11-5-10-6-12(16)3-4-13(10)15(11)8-9/h3-4,6,9,11,16H,1-2,5,7-8,14H2.
What are the key properties of 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol?
7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol is sourced from PubChem (CID 105472846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).