N,N-dimethyl-octahydro-1H-isoindol-5-amine

C10H20N2 — CID 130794629

IUPACN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine
SMILESCN(C)C1CCC2CNCC2C1
InChIInChI=1S/C10H20N2/c1-12(2)10-4-3-8-6-11-7-9(8)5-10/h8-11H,3-7H2,1-2H3
InChIKeyCBTYXLKTWPUUOY-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.00
Rot. Bonds1

About N,N-dimethyl-octahydro-1H-isoindol-5-amine

N,N-dimethyl-octahydro-1H-isoindol-5-amine (PubChem CID 130794629) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-octahydro-1H-isoindol-5-amine
PubChem CID130794629
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine
SMILESCN(C)C1CCC2CNCC2C1
InChIInChI=1S/C10H20N2/c1-12(2)10-4-3-8-6-11-7-9(8)5-10/h8-11H,3-7H2,1-2H3
InChIKeyCBTYXLKTWPUUOY-UHFFFAOYSA-N
XLogP1.00
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-octahydro-1H-indole
CID 524505
2-methyl-octahydro-1H-indole
CID 15741630
2-methyl-octahydro-1H-isoindol-4-amine dihydrochloride
CID 132398878
(2R,3aS,7aS)-2-methyl-octahydro-1H-indole hydrochloride
CID 155821997
Octahydro-1H-isoindol-4-amine
CID 22560374
2-Ethyloctahydro-1H-isoindole-1-methylamine
CID 92469
5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine
CID 20763709
2-methyl-octahydro-1H-isoindol-4-amine
CID 77447473
N-ethyl-2-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)-N-methylethanamine
CID 165026796
2-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)propan-1-amine
CID 167205072
3-Ethyl-octahydroindole
CID 524502
cis-7a-Methyloctahydroindole
CID 55286597

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-octahydro-1H-isoindol-5-amine?
The IUPAC name of N,N-dimethyl-octahydro-1H-isoindol-5-amine (CID 130794629) is N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine.
What is the SMILES notation for N,N-dimethyl-octahydro-1H-isoindol-5-amine?
The canonical SMILES for N,N-dimethyl-octahydro-1H-isoindol-5-amine is CN(C)C1CCC2CNCC2C1.
What is the InChIKey of N,N-dimethyl-octahydro-1H-isoindol-5-amine?
The InChIKey is CBTYXLKTWPUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12(2)10-4-3-8-6-11-7-9(8)5-10/h8-11H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-octahydro-1H-isoindol-5-amine?
N,N-dimethyl-octahydro-1H-isoindol-5-amine has a molecular weight of 168.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-octahydro-1H-isoindol-5-amine is sourced from PubChem (CID 130794629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).