(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine

C13H17ClN2 — CID 105498592

IUPAC(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
SMILESNCC1CCCC2Cc3c(Cl)cccc3N12
InChIInChI=1S/C13H17ClN2/c14-12-5-2-6-13-11(12)7-9-3-1-4-10(8-15)16(9)13/h2,5-6,9-10H,1,3-4,7-8,15H2
InChIKeyXQHOJAUKPSMIOL-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.58
Rot. Bonds1

About (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine

(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine (PubChem CID 105498592) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine.

Molecular Properties

Compound Name(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
PubChem CID105498592
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
SMILESNCC1CCCC2Cc3c(Cl)cccc3N12
InChIInChI=1S/C13H17ClN2/c14-12-5-2-6-13-11(12)7-9-3-1-4-10(8-15)16(9)13/h2,5-6,9-10H,1,3-4,7-8,15H2
InChIKeyXQHOJAUKPSMIOL-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105498590
(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480159
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
CID 113277018
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060

Frequently Asked Questions

What is the IUPAC name of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine?
The IUPAC name of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine (CID 105498592) is (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine.
What is the SMILES notation for (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine?
The canonical SMILES for (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine is NCC1CCCC2Cc3c(Cl)cccc3N12.
What is the InChIKey of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine?
The InChIKey is XQHOJAUKPSMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-12-5-2-6-13-11(12)7-9-3-1-4-10(8-15)16(9)13/h2,5-6,9-10H,1,3-4,7-8,15H2.
What are the key properties of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine?
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine has a molecular weight of 236.75 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine is sourced from PubChem (CID 105498592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).