N,6-dimethyl-2-propyloct-7-en-1-amine

C13H27N — CID 137466874

IUPACN,6-dimethyl-2-propyloct-7-en-1-amine
SMILESC=CC(C)CCCC(CCC)CNC
InChIInChI=1S/C13H27N/c1-5-8-13(11-14-4)10-7-9-12(3)6-2/h6,12-14H,2,5,7-11H2,1,3-4H3
InChIKeyGXEKBMWKPABJJL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.61
Rot. Bonds9

About N,6-dimethyl-2-propyloct-7-en-1-amine

N,6-dimethyl-2-propyloct-7-en-1-amine (PubChem CID 137466874) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,6-dimethyl-2-propyloct-7-en-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-propyloct-7-en-1-amine
PubChem CID137466874
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,6-dimethyl-2-propyloct-7-en-1-amine
SMILESC=CC(C)CCCC(CCC)CNC
InChIInChI=1S/C13H27N/c1-5-8-13(11-14-4)10-7-9-12(3)6-2/h6,12-14H,2,5,7-11H2,1,3-4H3
InChIKeyGXEKBMWKPABJJL-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-propyloct-7-en-1-amine?
The IUPAC name of N,6-dimethyl-2-propyloct-7-en-1-amine (CID 137466874) is N,6-dimethyl-2-propyloct-7-en-1-amine.
What is the SMILES notation for N,6-dimethyl-2-propyloct-7-en-1-amine?
The canonical SMILES for N,6-dimethyl-2-propyloct-7-en-1-amine is C=CC(C)CCCC(CCC)CNC.
What is the InChIKey of N,6-dimethyl-2-propyloct-7-en-1-amine?
The InChIKey is GXEKBMWKPABJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-13(11-14-4)10-7-9-12(3)6-2/h6,12-14H,2,5,7-11H2,1,3-4H3.
What are the key properties of N,6-dimethyl-2-propyloct-7-en-1-amine?
N,6-dimethyl-2-propyloct-7-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-propyloct-7-en-1-amine is sourced from PubChem (CID 137466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).