2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine

C15H31N — CID 21355495

IUPAC2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine
SMILESCC(C)=CCCC(C)CNC(C)CC(C)C
InChIInChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3
InChIKeyHBUMXDUURWZGHO-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.39
Rot. Bonds8

About 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine

2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine (PubChem CID 21355495) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine
PubChem CID21355495
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine
SMILESCC(C)=CCCC(C)CNC(C)CC(C)C
InChIInChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3
InChIKeyHBUMXDUURWZGHO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.39
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 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine?
The IUPAC name of 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine (CID 21355495) is 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine is CC(C)=CCCC(C)CNC(C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine?
The InChIKey is HBUMXDUURWZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)8-7-9-14(5)11-16-15(6)10-13(3)4/h8,13-16H,7,9-11H2,1-6H3.
What are the key properties of 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine?
2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine is sourced from PubChem (CID 21355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).