3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine

C17H31N — CID 126604868

IUPAC3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine
SMILESC=C(C)C(=C)CCCNC(=C)C(C)CC(C)(C)C
InChIInChI=1S/C17H31N/c1-13(2)14(3)10-9-11-18-16(5)15(4)12-17(6,7)8/h15,18H,1,3,5,9-12H2,2,4,6-8H3
InChIKeyOAZQSNBARFJBGA-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.07
Rot. Bonds8

About 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine

3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine (PubChem CID 126604868) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine
PubChem CID126604868
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine
SMILESC=C(C)C(=C)CCCNC(=C)C(C)CC(C)(C)C
InChIInChI=1S/C17H31N/c1-13(2)14(3)10-9-11-18-16(5)15(4)12-17(6,7)8/h15,18H,1,3,5,9-12H2,2,4,6-8H3
InChIKeyOAZQSNBARFJBGA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine?
The IUPAC name of 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine (CID 126604868) is 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine.
What is the SMILES notation for 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine?
The canonical SMILES for 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine is C=C(C)C(=C)CCCNC(=C)C(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine?
The InChIKey is OAZQSNBARFJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-13(2)14(3)10-9-11-18-16(5)15(4)12-17(6,7)8/h15,18H,1,3,5,9-12H2,2,4,6-8H3.
What are the key properties of 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine?
3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine has a molecular weight of 249.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(5-methyl-4-methylidenehex-5-enyl)hex-1-en-2-amine is sourced from PubChem (CID 126604868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).