2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine

C12H15ClN2 — CID 105480128

IUPAC2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESNC1CCN2c3ccc(Cl)cc3CC2C1
InChIInChI=1S/C12H15ClN2/c13-9-1-2-12-8(5-9)6-11-7-10(14)3-4-15(11)12/h1-2,5,10-11H,3-4,6-7,14H2
InChIKeyOKTXIAMTDIUJRI-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.19
Rot. Bonds

About 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine

2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (PubChem CID 105480128) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.

Molecular Properties

Compound Name2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
PubChem CID105480128
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
SMILESNC1CCN2c3ccc(Cl)cc3CC2C1
InChIInChI=1S/C12H15ClN2/c13-9-1-2-12-8(5-9)6-11-7-10(14)3-4-15(11)12/h1-2,5,10-11H,3-4,6-7,14H2
InChIKeyOKTXIAMTDIUJRI-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105454751
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105472853
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932
6-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-3-carbaldehyde
CID 105478579
9-(4-chlorophenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720368
9-(4-chloro-2,6-difluorophenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720698
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477
18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine
CID 70637280
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
8-chloro-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 166935669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The IUPAC name of 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine (CID 105480128) is 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine.
What is the SMILES notation for 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The canonical SMILES for 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine is NC1CCN2c3ccc(Cl)cc3CC2C1.
What is the InChIKey of 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
The InChIKey is OKTXIAMTDIUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-9-1-2-12-8(5-9)6-11-7-10(14)3-4-15(11)12/h1-2,5,10-11H,3-4,6-7,14H2.
What are the key properties of 2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine?
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine has a molecular weight of 222.72 g/mol, XLogP of 2.19, 0 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-8-amine is sourced from PubChem (CID 105480128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).