N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine

C14H25N — CID 135200521

IUPACN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine
SMILESC=C/C=C(\N=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-10-12(14(6,7)8)15-11(2)13(3,4)5/h9-10H,1H2,2-8H3/b12-10-,15-11+
InChIKeySNNPWCRHYDQTMY-MOPKJALQSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds2

About N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine

N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine (PubChem CID 135200521) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound NameN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine
PubChem CID135200521
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine
SMILESC=C/C=C(\N=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-10-12(14(6,7)8)15-11(2)13(3,4)5/h9-10H,1H2,2-8H3/b12-10-,15-11+
InChIKeySNNPWCRHYDQTMY-MOPKJALQSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine?
The IUPAC name of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine (CID 135200521) is N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine?
The canonical SMILES for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine is C=C/C=C(\N=C(/C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine?
The InChIKey is SNNPWCRHYDQTMY-MOPKJALQSA-N. The full InChI is InChI=1S/C14H25N/c1-9-10-12(14(6,7)8)15-11(2)13(3,4)5/h9-10H,1H2,2-8H3/b12-10-,15-11+.
What are the key properties of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine?
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 135200521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).