7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine

C18H35N — CID 129055929

IUPAC7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine
SMILESC=C(CCCCCC)NCCCCCC(=C)C(C)C
InChIInChI=1S/C18H35N/c1-6-7-8-11-14-18(5)19-15-12-9-10-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyRMRWJDPZEVOORW-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.83
Rot. Bonds13

About 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine

7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine (PubChem CID 129055929) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine.

Molecular Properties

Compound Name7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine
PubChem CID129055929
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine
SMILESC=C(CCCCCC)NCCCCCC(=C)C(C)C
InChIInChI=1S/C18H35N/c1-6-7-8-11-14-18(5)19-15-12-9-10-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyRMRWJDPZEVOORW-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.83
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 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine?
The IUPAC name of 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine (CID 129055929) is 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine.
What is the SMILES notation for 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine?
The canonical SMILES for 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine is C=C(CCCCCC)NCCCCCC(=C)C(C)C.
What is the InChIKey of 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine?
The InChIKey is RMRWJDPZEVOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-7-8-11-14-18(5)19-15-12-9-10-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3.
What are the key properties of 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine?
7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine is sourced from PubChem (CID 129055929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).