(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine

C14H25N — CID 90837045

IUPAC(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine
SMILESC/C=C(C)\C(=C\CC)C(\CCCC)=N\C
InChIInChI=1S/C14H25N/c1-6-9-11-14(15-5)13(10-7-2)12(4)8-3/h8,10H,6-7,9,11H2,1-5H3/b12-8-,13-10-,15-14+
InChIKeyWCBODOLCDMBYCK-IYQOVEBMSA-N
MW207.36 g/mol
LogP4.55
Rot. Bonds6

About (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine

(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine (PubChem CID 90837045) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine.

Molecular Properties

Compound Name(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine
PubChem CID90837045
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine
SMILESC/C=C(C)\C(=C\CC)C(\CCCC)=N\C
InChIInChI=1S/C14H25N/c1-6-9-11-14(15-5)13(10-7-2)12(4)8-3/h8,10H,6-7,9,11H2,1-5H3/b12-8-,13-10-,15-14+
InChIKeyWCBODOLCDMBYCK-IYQOVEBMSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.55
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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Related Compounds

1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
CID 155371817
(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
CID 166122432
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
CID 170733996
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762103
1-N,2-N,4-trimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762104

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine?
The IUPAC name of (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine (CID 90837045) is (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine.
What is the SMILES notation for (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine?
The canonical SMILES for (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine is C/C=C(C)\C(=C\CC)C(\CCCC)=N\C.
What is the InChIKey of (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine?
The InChIKey is WCBODOLCDMBYCK-IYQOVEBMSA-N. The full InChI is InChI=1S/C14H25N/c1-6-9-11-14(15-5)13(10-7-2)12(4)8-3/h8,10H,6-7,9,11H2,1-5H3/b12-8-,13-10-,15-14+.
What are the key properties of (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine?
(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine has a molecular weight of 207.36 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine is sourced from PubChem (CID 90837045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).