6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine

C15H31N — CID 82935709

IUPAC6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
SMILESCCC(CC)CC(C)=CCCNCC(C)C
InChIInChI=1S/C15H31N/c1-6-15(7-2)11-14(5)9-8-10-16-12-13(3)4/h9,13,15-16H,6-8,10-12H2,1-5H3
InChIKeyHVFXHOXRGFWJCE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.39
Rot. Bonds9

About 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine

6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine (PubChem CID 82935709) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine.

Molecular Properties

Compound Name6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
PubChem CID82935709
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
SMILESCCC(CC)CC(C)=CCCNCC(C)C
InChIInChI=1S/C15H31N/c1-6-15(7-2)11-14(5)9-8-10-16-12-13(3)4/h9,13,15-16H,6-8,10-12H2,1-5H3
InChIKeyHVFXHOXRGFWJCE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine?
The IUPAC name of 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine (CID 82935709) is 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine.
What is the SMILES notation for 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine?
The canonical SMILES for 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine is CCC(CC)CC(C)=CCCNCC(C)C.
What is the InChIKey of 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine?
The InChIKey is HVFXHOXRGFWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-15(7-2)11-14(5)9-8-10-16-12-13(3)4/h9,13,15-16H,6-8,10-12H2,1-5H3.
What are the key properties of 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine?
6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine is sourced from PubChem (CID 82935709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).