N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

C10H20N2 — CID 134400309

IUPACN,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCNC1CCC2CN(C)CC2C1
InChIInChI=1S/C10H20N2/c1-11-10-4-3-8-6-12(2)7-9(8)5-10/h8-11H,3-7H2,1-2H3
InChIKeyCNHXTOZSVJEWIK-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds1

About N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (PubChem CID 134400309) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.

Molecular Properties

Compound NameN,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
PubChem CID134400309
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCNC1CCC2CN(C)CC2C1
InChIInChI=1S/C10H20N2/c1-11-10-4-3-8-6-12(2)7-9(8)5-10/h8-11H,3-7H2,1-2H3
InChIKeyCNHXTOZSVJEWIK-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The IUPAC name of N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (CID 134400309) is N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.
What is the SMILES notation for N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The canonical SMILES for N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is CNC1CCC2CN(C)CC2C1.
What is the InChIKey of N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The InChIKey is CNHXTOZSVJEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-10-4-3-8-6-12(2)7-9(8)5-10/h8-11H,3-7H2,1-2H3.
What are the key properties of N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine has a molecular weight of 168.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is sourced from PubChem (CID 134400309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).