4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine

C15H30N2 — CID 64707188

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)N1CCC2CCCCC2C1
InChIInChI=1S/C15H30N2/c1-12(16-3)10-13(2)17-9-8-14-6-4-5-7-15(14)11-17/h12-16H,4-11H2,1-3H3
InChIKeyNEBVSPUFKGRLTF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds4

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine (PubChem CID 64707188) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine
PubChem CID64707188
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)N1CCC2CCCCC2C1
InChIInChI=1S/C15H30N2/c1-12(16-3)10-13(2)17-9-8-14-6-4-5-7-15(14)11-17/h12-16H,4-11H2,1-3H3
InChIKeyNEBVSPUFKGRLTF-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine (CID 64707188) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine is CNC(C)CC(C)N1CCC2CCCCC2C1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine?
The InChIKey is NEBVSPUFKGRLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(16-3)10-13(2)17-9-8-14-6-4-5-7-15(14)11-17/h12-16H,4-11H2,1-3H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 64707188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).