(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane

C14H25N — CID 143773644

IUPAC(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
SMILESC=C/C(C)=C(/C=C\C)C(\CC)=N\C.CC
InChIInChI=1S/C12H19N.C2H6/c1-6-9-11(10(4)7-2)12(8-3)13-5;1-2/h6-7,9H,2,8H2,1,3-5H3;1-2H3/b9-6-,11-10-,13-12+;
InChIKeyDLQJNBOLLFVZAM-XSMWJCOGSA-N
MW207.36 g/mol
LogP4.57
Rot. Bonds4

About (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane

(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane (PubChem CID 143773644) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane.

Molecular Properties

Compound Name(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
PubChem CID143773644
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
SMILESC=C/C(C)=C(/C=C\C)C(\CC)=N\C.CC
InChIInChI=1S/C12H19N.C2H6/c1-6-9-11(10(4)7-2)12(8-3)13-5;1-2/h6-7,9H,2,8H2,1,3-5H3;1-2H3/b9-6-,11-10-,13-12+;
InChIKeyDLQJNBOLLFVZAM-XSMWJCOGSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.57
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

(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
(Z)-N,4-dimethylhex-4-en-3-imine
CID 176566678
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(Z)-3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]hex-2-enoic acid
CID 168936695
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(3Z,5Z)-4-(N-methyl-C-propan-2-ylcarbonimidoyl)hepta-1,3,5-trien-3-amine
CID 178050407
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane?
The IUPAC name of (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane (CID 143773644) is (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane.
What is the SMILES notation for (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane?
The canonical SMILES for (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane is C=C/C(C)=C(/C=C\C)C(\CC)=N\C.CC.
What is the InChIKey of (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane?
The InChIKey is DLQJNBOLLFVZAM-XSMWJCOGSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-6-9-11(10(4)7-2)12(8-3)13-5;1-2/h6-7,9H,2,8H2,1,3-5H3;1-2H3/b9-6-,11-10-,13-12+;.
What are the key properties of (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane?
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane has a molecular weight of 207.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane is sourced from PubChem (CID 143773644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).