(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine

C15H27N — CID 91160701

IUPAC(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine
SMILESCCC(C)=C(C)C(=C\C(C)CC)/C(C)=N/C
InChIInChI=1S/C15H27N/c1-8-11(3)10-15(14(6)16-7)13(5)12(4)9-2/h10-11H,8-9H2,1-7H3/b13-12?,15-10+,16-14+
InChIKeyFKUJRFQSRMXLGV-SNGRPAQGSA-N
MW221.39 g/mol
LogP4.80
Rot. Bonds5

About (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine

(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine (PubChem CID 91160701) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine
PubChem CID91160701
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine
SMILESCCC(C)=C(C)C(=C\C(C)CC)/C(C)=N/C
InChIInChI=1S/C15H27N/c1-8-11(3)10-15(14(6)16-7)13(5)12(4)9-2/h10-11H,8-9H2,1-7H3/b13-12?,15-10+,16-14+
InChIKeyFKUJRFQSRMXLGV-SNGRPAQGSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.80
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 (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine?
The IUPAC name of (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine (CID 91160701) is (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine.
What is the SMILES notation for (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine?
The canonical SMILES for (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine is CCC(C)=C(C)C(=C\C(C)CC)/C(C)=N/C.
What is the InChIKey of (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine?
The InChIKey is FKUJRFQSRMXLGV-SNGRPAQGSA-N. The full InChI is InChI=1S/C15H27N/c1-8-11(3)10-15(14(6)16-7)13(5)12(4)9-2/h10-11H,8-9H2,1-7H3/b13-12?,15-10+,16-14+.
What are the key properties of (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine?
(E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-3-(3-methylpent-2-en-2-yl)hept-3-en-2-imine is sourced from PubChem (CID 91160701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).