3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine

C16H27N — CID 89258854

IUPAC3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
SMILESC/C=C\C=C/C(C)=C(CC)/N=C(\C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-10-11-12-13(3)15(9-2)17-14(4)16(5,6)7/h8,10-12H,9H2,1-7H3/b10-8-,12-11-,15-13+,17-14+
InChIKeyYIIUOMHDOBXAKE-VDSOQLOVSA-N
MW233.40 g/mol
LogP5.31
Rot. Bonds4

About 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine

3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine (PubChem CID 89258854) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
PubChem CID89258854
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
SMILESC/C=C\C=C/C(C)=C(CC)/N=C(\C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-10-11-12-13(3)15(9-2)17-14(4)16(5,6)7/h8,10-12H,9H2,1-7H3/b10-8-,12-11-,15-13+,17-14+
InChIKeyYIIUOMHDOBXAKE-VDSOQLOVSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.31
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 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine with MolForge

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Related Compounds

N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
2-ethenyl-3,3-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]pyrrole
CID 87093577
(4E,7Z)-N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine
CID 87946120
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(4Z)-N-tert-butyl-2,2,5-trimethylhepta-4,6-dien-3-imine
CID 89360730
4-[(1Z)-buta-1,3-dienyl]-2,3,3,5-tetramethylpyrrole
CID 89512841
N-[(2Z,5Z)-3-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
CID 90903761
N-(5-ethyl-5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)heptan-2-imine
CID 91372726
(4Z,6Z)-N,2,2,6-tetramethylocta-4,6-dien-3-imine
CID 117781530
(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
CID 121372118
N-[(3E,5Z)-4,5-dimethylnona-3,5,8-trien-3-yl]-4-methylhexan-2-imine
CID 123167041

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine (CID 89258854) is 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine is C/C=C\C=C/C(C)=C(CC)/N=C(\C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine?
The InChIKey is YIIUOMHDOBXAKE-VDSOQLOVSA-N. The full InChI is InChI=1S/C16H27N/c1-8-10-11-12-13(3)15(9-2)17-14(4)16(5,6)7/h8,10-12H,9H2,1-7H3/b10-8-,12-11-,15-13+,17-14+.
What are the key properties of 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine?
3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine has a molecular weight of 233.40 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine is sourced from PubChem (CID 89258854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).