N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine

C14H25N — CID 155372123

IUPACN-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine
SMILESCC/C=C(C)\C=C(\C)C(C)/N=C/CCC
InChIInChI=1S/C14H25N/c1-6-8-10-15-14(5)13(4)11-12(3)9-7-2/h9-11,14H,6-8H2,1-5H3/b12-9-,13-11-,15-10+
InChIKeyZPGDVJMGCILHBW-OMUHXTGLSA-N
MW207.36 g/mol
LogP4.55
Rot. Bonds6

About N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine

N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine (PubChem CID 155372123) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine.

Molecular Properties

Compound NameN-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine
PubChem CID155372123
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine
SMILESCC/C=C(C)\C=C(\C)C(C)/N=C/CCC
InChIInChI=1S/C14H25N/c1-6-8-10-15-14(5)13(4)11-12(3)9-7-2/h9-11,14H,6-8H2,1-5H3/b12-9-,13-11-,15-10+
InChIKeyZPGDVJMGCILHBW-OMUHXTGLSA-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'}

Analyze N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine?
The IUPAC name of N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine (CID 155372123) is N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine.
What is the SMILES notation for N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine?
The canonical SMILES for N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine is CC/C=C(C)\C=C(\C)C(C)/N=C/CCC.
What is the InChIKey of N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine?
The InChIKey is ZPGDVJMGCILHBW-OMUHXTGLSA-N. The full InChI is InChI=1S/C14H25N/c1-6-8-10-15-14(5)13(4)11-12(3)9-7-2/h9-11,14H,6-8H2,1-5H3/b12-9-,13-11-,15-10+.
What are the key properties of N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine?
N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-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 N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine is sourced from PubChem (CID 155372123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).