(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine

C17H31N — CID 139439590

IUPAC(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine
SMILESC=C(/C=C\[C@@H](C)CC/C=N/C)CCCC(C)CC
InChIInChI=1S/C17H31N/c1-6-15(2)9-7-10-16(3)12-13-17(4)11-8-14-18-5/h12-15,17H,3,6-11H2,1-2,4-5H3/b13-12-,18-14+/t15?,17-/m0/s1
InChIKeyROYFLXYGZWSQPG-ZMPOPWDGSA-N
MW249.44 g/mol
LogP5.43
Rot. Bonds10

About (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine

(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine (PubChem CID 139439590) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine.

Molecular Properties

Compound Name(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine
PubChem CID139439590
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine
SMILESC=C(/C=C\[C@@H](C)CC/C=N/C)CCCC(C)CC
InChIInChI=1S/C17H31N/c1-6-15(2)9-7-10-16(3)12-13-17(4)11-8-14-18-5/h12-15,17H,3,6-11H2,1-2,4-5H3/b13-12-,18-14+/t15?,17-/m0/s1
InChIKeyROYFLXYGZWSQPG-ZMPOPWDGSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine?
The IUPAC name of (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine (CID 139439590) is (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine.
What is the SMILES notation for (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine?
The canonical SMILES for (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine is C=C(/C=C\[C@@H](C)CC/C=N/C)CCCC(C)CC.
What is the InChIKey of (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine?
The InChIKey is ROYFLXYGZWSQPG-ZMPOPWDGSA-N. The full InChI is InChI=1S/C17H31N/c1-6-15(2)9-7-10-16(3)12-13-17(4)11-8-14-18-5/h12-15,17H,3,6-11H2,1-2,4-5H3/b13-12-,18-14+/t15?,17-/m0/s1.
What are the key properties of (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine?
(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine is sourced from PubChem (CID 139439590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).