3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine

C13H27N — CID 129035749

IUPAC3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine
SMILESC=C(NCC(C)CC)C(C)CC(C)C
InChIInChI=1S/C13H27N/c1-7-11(4)9-14-13(6)12(5)8-10(2)3/h10-12,14H,6-9H2,1-5H3
InChIKeyCKHYHIWWRMTZJZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.82
Rot. Bonds7

About 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine

3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine (PubChem CID 129035749) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine
PubChem CID129035749
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine
SMILESC=C(NCC(C)CC)C(C)CC(C)C
InChIInChI=1S/C13H27N/c1-7-11(4)9-14-13(6)12(5)8-10(2)3/h10-12,14H,6-9H2,1-5H3
InChIKeyCKHYHIWWRMTZJZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine?
The IUPAC name of 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine (CID 129035749) is 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine?
The canonical SMILES for 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine is C=C(NCC(C)CC)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine?
The InChIKey is CKHYHIWWRMTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11(4)9-14-13(6)12(5)8-10(2)3/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine?
3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine is sourced from PubChem (CID 129035749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).