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

C13H17ClN2 — CID 105498595

IUPAC(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
SMILESNCC1CCC2Cc3cc(Cl)ccc3N2C1
InChIInChI=1S/C13H17ClN2/c14-11-2-4-13-10(5-11)6-12-3-1-9(7-15)8-16(12)13/h2,4-5,9,12H,1,3,6-8,15H2
InChIKeyZKYSSKUROZTSNS-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.44
Rot. Bonds1

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

(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine (PubChem CID 105498595) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
PubChem CID105498595
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
SMILESNCC1CCC2Cc3cc(Cl)ccc3N2C1
InChIInChI=1S/C13H17ClN2/c14-11-2-4-13-10(5-11)6-12-3-1-9(7-15)8-16(12)13/h2,4-5,9,12H,1,3,6-8,15H2
InChIKeyZKYSSKUROZTSNS-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

7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol
CID 105472846
(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105476002
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128
(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480159
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
(1-bromo-8-chloro-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl)methanamine
CID 175045847
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
6-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-3-carbaldehyde
CID 105478579
5-chloro-1-cyclopentyl-2,3-dihydroindol-3-amine
CID 45043254

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The IUPAC name of (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine (CID 105498595) is (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine.
What is the SMILES notation for (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The canonical SMILES for (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine is NCC1CCC2Cc3cc(Cl)ccc3N2C1.
What is the InChIKey of (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The InChIKey is ZKYSSKUROZTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-2-4-13-10(5-11)6-12-3-1-9(7-15)8-16(12)13/h2,4-5,9,12H,1,3,6-8,15H2.
What are the key properties of (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-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 (2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine is sourced from PubChem (CID 105498595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).