(E)-3-chloro-N,2-dimethylpent-2-en-1-imine

C7H12ClN — CID 176921489

IUPAC(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
SMILESCC/C(Cl)=C(C)\C=N\C
InChIInChI=1S/C7H12ClN/c1-4-7(8)6(2)5-9-3/h5H,4H2,1-3H3/b7-6+,9-5+
InChIKeySLXWDFMXTFRORI-CQCRHSALSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds2

About (E)-3-chloro-N,2-dimethylpent-2-en-1-imine

(E)-3-chloro-N,2-dimethylpent-2-en-1-imine (PubChem CID 176921489) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (E)-3-chloro-N,2-dimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
PubChem CID176921489
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
SMILESCC/C(Cl)=C(C)\C=N\C
InChIInChI=1S/C7H12ClN/c1-4-7(8)6(2)5-9-3/h5H,4H2,1-3H3/b7-6+,9-5+
InChIKeySLXWDFMXTFRORI-CQCRHSALSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
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 (E)-3-chloro-N,2-dimethylpent-2-en-1-imine?
The IUPAC name of (E)-3-chloro-N,2-dimethylpent-2-en-1-imine (CID 176921489) is (E)-3-chloro-N,2-dimethylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-chloro-N,2-dimethylpent-2-en-1-imine?
The canonical SMILES for (E)-3-chloro-N,2-dimethylpent-2-en-1-imine is CC/C(Cl)=C(C)\C=N\C.
What is the InChIKey of (E)-3-chloro-N,2-dimethylpent-2-en-1-imine?
The InChIKey is SLXWDFMXTFRORI-CQCRHSALSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-7(8)6(2)5-9-3/h5H,4H2,1-3H3/b7-6+,9-5+.
What are the key properties of (E)-3-chloro-N,2-dimethylpent-2-en-1-imine?
(E)-3-chloro-N,2-dimethylpent-2-en-1-imine has a molecular weight of 145.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N,2-dimethylpent-2-en-1-imine is sourced from PubChem (CID 176921489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).