(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine

C24H45N — CID 126583522

IUPAC(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine
SMILESC/C=C(CCCN(CC)CCCC)\C(C)=C(C)\C=C/CCCCCC
InChIInChI=1S/C24H45N/c1-7-11-13-14-15-16-18-22(5)23(6)24(9-3)19-17-21-25(10-4)20-12-8-2/h9,16,18H,7-8,10-15,17,19-21H2,1-6H3/b18-16-,23-22+,24-9-
InChIKeyRRRHUKBRJIHDLW-XHKKRJCASA-N
MW347.63 g/mol
LogP7.70
Rot. Bonds15

About (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine

(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine (PubChem CID 126583522) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine.

Molecular Properties

Compound Name(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine
PubChem CID126583522
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine
SMILESC/C=C(CCCN(CC)CCCC)\C(C)=C(C)\C=C/CCCCCC
InChIInChI=1S/C24H45N/c1-7-11-13-14-15-16-18-22(5)23(6)24(9-3)19-17-21-25(10-4)20-12-8-2/h9,16,18H,7-8,10-15,17,19-21H2,1-6H3/b18-16-,23-22+,24-9-
InChIKeyRRRHUKBRJIHDLW-XHKKRJCASA-N
XLogP7.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.70
H-Bond Donors ≤ 50
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 (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine?
The IUPAC name of (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine (CID 126583522) is (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine.
What is the SMILES notation for (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine?
The canonical SMILES for (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine is C/C=C(CCCN(CC)CCCC)\C(C)=C(C)\C=C/CCCCCC.
What is the InChIKey of (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine?
The InChIKey is RRRHUKBRJIHDLW-XHKKRJCASA-N. The full InChI is InChI=1S/C24H45N/c1-7-11-13-14-15-16-18-22(5)23(6)24(9-3)19-17-21-25(10-4)20-12-8-2/h9,16,18H,7-8,10-15,17,19-21H2,1-6H3/b18-16-,23-22+,24-9-.
What are the key properties of (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine?
(4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine has a molecular weight of 347.63 g/mol, XLogP of 7.70, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E,7Z)-N-butyl-N-ethyl-4-ethylidene-5,6-dimethyltetradeca-5,7-dien-1-amine is sourced from PubChem (CID 126583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).