N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine

C15H27N — CID 166973899

IUPACN-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine
SMILESC=C/C=C(\C)C(C)C(C)/N=C/C(C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,1H2,2-7H3/b12-9+,16-10+
InChIKeyYBYXEDWCRGCNIC-JXTNESPGSA-N
MW221.39 g/mol
LogP4.51
Rot. Bonds6

About N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine

N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine (PubChem CID 166973899) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine.

Molecular Properties

Compound NameN-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine
PubChem CID166973899
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine
SMILESC=C/C=C(\C)C(C)C(C)/N=C/C(C)C(C)C
InChIInChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,1H2,2-7H3/b12-9+,16-10+
InChIKeyYBYXEDWCRGCNIC-JXTNESPGSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.51
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-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine?
The IUPAC name of N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine (CID 166973899) is N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine.
What is the SMILES notation for N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine?
The canonical SMILES for N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine is C=C/C=C(\C)C(C)C(C)/N=C/C(C)C(C)C.
What is the InChIKey of N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine?
The InChIKey is YBYXEDWCRGCNIC-JXTNESPGSA-N. The full InChI is InChI=1S/C15H27N/c1-8-9-12(4)14(6)15(7)16-10-13(5)11(2)3/h8-11,13-15H,1H2,2-7H3/b12-9+,16-10+.
What are the key properties of N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine?
N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine is sourced from PubChem (CID 166973899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).