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

C13H17ClN2 — CID 105498590

IUPAC(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
SMILESNCC1CCN2c3cccc(Cl)c3CC2C1
InChIInChI=1S/C13H17ClN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2
InChIKeyWFYMHXPPIVPGEX-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.44
Rot. Bonds1

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

(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine (PubChem CID 105498590) 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-8-yl)methanamine.

Molecular Properties

Compound Name(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
PubChem CID105498590
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-8-yl)methanamine
SMILESNCC1CCN2c3cccc(Cl)c3CC2C1
InChIInChI=1S/C13H17ClN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2
InChIKeyWFYMHXPPIVPGEX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105475993
(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
CID 105498592
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841
14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
CID 70636665
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-ol
CID 105444328
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 119963921

Frequently Asked Questions

What is the IUPAC name of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The IUPAC name of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine (CID 105498590) is (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine.
What is the SMILES notation for (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The canonical SMILES for (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine is NCC1CCN2c3cccc(Cl)c3CC2C1.
What is the InChIKey of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The InChIKey is WFYMHXPPIVPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2.
What are the key properties of (1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine has a molecular weight of 236.75 g/mol, XLogP of 2.44, 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-8-yl)methanamine is sourced from PubChem (CID 105498590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).