(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine

C14H23N — CID 129203548

IUPAC(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine
SMILESC=C(C/C=N/C)/C(C)=C\C=C(CC)CC
InChIInChI=1S/C14H23N/c1-6-14(7-2)9-8-12(3)13(4)10-11-15-5/h8-9,11H,4,6-7,10H2,1-3,5H3/b12-8-,15-11+
InChIKeyMDDHWLAOYBWAOF-SGRTWXLRSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds6

About (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine

(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine (PubChem CID 129203548) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine
PubChem CID129203548
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine
SMILESC=C(C/C=N/C)/C(C)=C\C=C(CC)CC
InChIInChI=1S/C14H23N/c1-6-14(7-2)9-8-12(3)13(4)10-11-15-5/h8-9,11H,4,6-7,10H2,1-3,5H3/b12-8-,15-11+
InChIKeyMDDHWLAOYBWAOF-SGRTWXLRSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
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 (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine?
The IUPAC name of (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine (CID 129203548) is (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine.
What is the SMILES notation for (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine?
The canonical SMILES for (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine is C=C(C/C=N/C)/C(C)=C\C=C(CC)CC.
What is the InChIKey of (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine?
The InChIKey is MDDHWLAOYBWAOF-SGRTWXLRSA-N. The full InChI is InChI=1S/C14H23N/c1-6-14(7-2)9-8-12(3)13(4)10-11-15-5/h8-9,11H,4,6-7,10H2,1-3,5H3/b12-8-,15-11+.
What are the key properties of (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine?
(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine is sourced from PubChem (CID 129203548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).