N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine

C15H27N — CID 91055461

IUPACN-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine
SMILESC=C(/C=C\CC)/N=C(\CC)CC(C)(C)CC
InChIInChI=1S/C15H27N/c1-7-10-11-13(4)16-14(8-2)12-15(5,6)9-3/h10-11H,4,7-9,12H2,1-3,5-6H3/b11-10-,16-14+
InChIKeyVEMMFFGTHBPLRC-XHINVYKMSA-N
MW221.39 g/mol
LogP5.14
Rot. Bonds7

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

N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine (PubChem CID 91055461) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine
PubChem CID91055461
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine
SMILESC=C(/C=C\CC)/N=C(\CC)CC(C)(C)CC
InChIInChI=1S/C15H27N/c1-7-10-11-13(4)16-14(8-2)12-15(5,6)9-3/h10-11H,4,7-9,12H2,1-3,5-6H3/b11-10-,16-14+
InChIKeyVEMMFFGTHBPLRC-XHINVYKMSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.14
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

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CID 91372726
2,3,3,4-Tetramethyl-4,5-dihydroindole
CID 123861407
N-[(3Z)-hexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine
CID 126757785
(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine
CID 129256919
(4Z,5E)-2-ethyl-3,3-dimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-5-prop-2-enylidenepyrrole
CID 130220120
(Z)-N-but-1-en-2-yl-4-methylnon-7-en-3-imine
CID 135199240
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine
CID 135200521
(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine
CID 138656648
5-ethenyl-2-(2,2,6-trimethylheptan-4-yl)-3H-pyrrole
CID 138747681
3,6-Dimethyl-3-pent-4-enimidoylcyclohexa-1,5-dien-1-amine
CID 146577044
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
CID 146609918

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine?
The IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine (CID 91055461) is N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine.
What is the SMILES notation for N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine?
The canonical SMILES for N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine is C=C(/C=C\CC)/N=C(\CC)CC(C)(C)CC.
What is the InChIKey of N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine?
The InChIKey is VEMMFFGTHBPLRC-XHINVYKMSA-N. The full InChI is InChI=1S/C15H27N/c1-7-10-11-13(4)16-14(8-2)12-15(5,6)9-3/h10-11H,4,7-9,12H2,1-3,5-6H3/b11-10-,16-14+.
What are the key properties of N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine?
N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine has a molecular weight of 221.39 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3-dien-2-yl]-5,5-dimethylheptan-3-imine is sourced from PubChem (CID 91055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).