1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine

C13H26N2 — CID 67775228

IUPAC1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)N1CC2CCCCC2C1
InChIInChI=1S/C13H26N2/c1-4-13(14(2)3)15-9-11-7-5-6-8-12(11)10-15/h11-13H,4-10H2,1-3H3
InChIKeySFUAMLKLHDSHEY-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds3

About 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine

1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 67775228) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID67775228
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)N1CC2CCCCC2C1
InChIInChI=1S/C13H26N2/c1-4-13(14(2)3)15-9-11-7-5-6-8-12(11)10-15/h11-13H,4-10H2,1-3H3
InChIKeySFUAMLKLHDSHEY-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine (CID 67775228) is 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine is CCC(N(C)C)N1CC2CCCCC2C1.
What is the InChIKey of 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is SFUAMLKLHDSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-13(14(2)3)15-9-11-7-5-6-8-12(11)10-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine?
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 67775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).