(4Z)-N,4-dimethylhepta-4,6-dien-3-imine

C9H15N — CID 91555978

IUPAC(4Z)-N,4-dimethylhepta-4,6-dien-3-imine
SMILESC=C/C=C(C)\C(CC)=N\C
InChIInChI=1S/C9H15N/c1-5-7-8(3)9(6-2)10-4/h5,7H,1,6H2,2-4H3/b8-7-,10-9+
InChIKeyMVVGDRRLZNCTBB-UQGDGPGGSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About (4Z)-N,4-dimethylhepta-4,6-dien-3-imine

(4Z)-N,4-dimethylhepta-4,6-dien-3-imine (PubChem CID 91555978) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (4Z)-N,4-dimethylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N,4-dimethylhepta-4,6-dien-3-imine
PubChem CID91555978
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(4Z)-N,4-dimethylhepta-4,6-dien-3-imine
SMILESC=C/C=C(C)\C(CC)=N\C
InChIInChI=1S/C9H15N/c1-5-7-8(3)9(6-2)10-4/h5,7H,1,6H2,2-4H3/b8-7-,10-9+
InChIKeyMVVGDRRLZNCTBB-UQGDGPGGSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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 (4Z)-N,4-dimethylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-N,4-dimethylhepta-4,6-dien-3-imine (CID 91555978) is (4Z)-N,4-dimethylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-N,4-dimethylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-N,4-dimethylhepta-4,6-dien-3-imine is C=C/C=C(C)\C(CC)=N\C.
What is the InChIKey of (4Z)-N,4-dimethylhepta-4,6-dien-3-imine?
The InChIKey is MVVGDRRLZNCTBB-UQGDGPGGSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-8(3)9(6-2)10-4/h5,7H,1,6H2,2-4H3/b8-7-,10-9+.
What are the key properties of (4Z)-N,4-dimethylhepta-4,6-dien-3-imine?
(4Z)-N,4-dimethylhepta-4,6-dien-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,4-dimethylhepta-4,6-dien-3-imine is sourced from PubChem (CID 91555978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).