4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine

C19H35N — CID 123346151

IUPAC4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine
SMILESC=CCCCCC(=C)C(C)C(C)(NC)C(=CC)CCC
InChIInChI=1S/C19H35N/c1-8-11-12-13-15-16(4)17(5)19(6,20-7)18(10-3)14-9-2/h8,10,17,20H,1,4,9,11-15H2,2-3,5-7H3
InChIKeyCIDJXOVNOSCRIJ-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.65
Rot. Bonds11

About 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine

4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine (PubChem CID 123346151) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine.

Molecular Properties

Compound Name4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine
PubChem CID123346151
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine
SMILESC=CCCCCC(=C)C(C)C(C)(NC)C(=CC)CCC
InChIInChI=1S/C19H35N/c1-8-11-12-13-15-16(4)17(5)19(6,20-7)18(10-3)14-9-2/h8,10,17,20H,1,4,9,11-15H2,2-3,5-7H3
InChIKeyCIDJXOVNOSCRIJ-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.65
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 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine?
The IUPAC name of 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine (CID 123346151) is 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine.
What is the SMILES notation for 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine?
The canonical SMILES for 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine is C=CCCCCC(=C)C(C)C(C)(NC)C(=CC)CCC.
What is the InChIKey of 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine?
The InChIKey is CIDJXOVNOSCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-8-11-12-13-15-16(4)17(5)19(6,20-7)18(10-3)14-9-2/h8,10,17,20H,1,4,9,11-15H2,2-3,5-7H3.
What are the key properties of 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine?
4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine has a molecular weight of 277.50 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-N,5,6-trimethyl-7-methylidenetridec-12-en-5-amine is sourced from PubChem (CID 123346151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).