(Z)-N,4-dimethylpent-2-en-1-imine

C7H13N — CID 88856577

IUPAC(Z)-N,4-dimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4-,8-6+
InChIKeyFWFDJLBCJVQKQX-GSGSLZOQSA-N
MW111.19 g/mol
LogP1.90
Rot. Bonds2

About (Z)-N,4-dimethylpent-2-en-1-imine

(Z)-N,4-dimethylpent-2-en-1-imine (PubChem CID 88856577) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (Z)-N,4-dimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N,4-dimethylpent-2-en-1-imine
PubChem CID88856577
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(Z)-N,4-dimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)C
InChIInChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4-,8-6+
InChIKeyFWFDJLBCJVQKQX-GSGSLZOQSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,4-dimethylpent-2-en-1-imine?
The IUPAC name of (Z)-N,4-dimethylpent-2-en-1-imine (CID 88856577) is (Z)-N,4-dimethylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N,4-dimethylpent-2-en-1-imine?
The canonical SMILES for (Z)-N,4-dimethylpent-2-en-1-imine is C/N=C/C=C\C(C)C.
What is the InChIKey of (Z)-N,4-dimethylpent-2-en-1-imine?
The InChIKey is FWFDJLBCJVQKQX-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-4-6-8-3/h4-7H,1-3H3/b5-4-,8-6+.
What are the key properties of (Z)-N,4-dimethylpent-2-en-1-imine?
(Z)-N,4-dimethylpent-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethylpent-2-en-1-imine is sourced from PubChem (CID 88856577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).