N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine

C18H33N — CID 54320004

IUPACN-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
SMILESCCNCC=C(C)C=CCC(C)CCC=C(C)CC
InChIInChI=1S/C18H33N/c1-6-16(3)10-8-11-17(4)12-9-13-18(5)14-15-19-7-2/h9-10,13-14,17,19H,6-8,11-12,15H2,1-5H3
InChIKeySQYLSMZTBSCDGJ-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.26
Rot. Bonds10

About N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine

N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine (PubChem CID 54320004) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine.

Molecular Properties

Compound NameN-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
PubChem CID54320004
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
SMILESCCNCC=C(C)C=CCC(C)CCC=C(C)CC
InChIInChI=1S/C18H33N/c1-6-16(3)10-8-11-17(4)12-9-13-18(5)14-15-19-7-2/h9-10,13-14,17,19H,6-8,11-12,15H2,1-5H3
InChIKeySQYLSMZTBSCDGJ-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.26
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine?
The IUPAC name of N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine (CID 54320004) is N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine.
What is the SMILES notation for N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine?
The canonical SMILES for N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine is CCNCC=C(C)C=CCC(C)CCC=C(C)CC.
What is the InChIKey of N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine?
The InChIKey is SQYLSMZTBSCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-6-16(3)10-8-11-17(4)12-9-13-18(5)14-15-19-7-2/h9-10,13-14,17,19H,6-8,11-12,15H2,1-5H3.
What are the key properties of N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine?
N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine is sourced from PubChem (CID 54320004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).