(Z)-2,2-dimethylhex-4-en-3-imine

C8H15N — CID 123173304

IUPAC(Z)-2,2-dimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-6-7(9)8(2,3)4/h5-6,9H,1-4H3/b6-5-,9-7+
InChIKeyUCTNIYCMIQYJRB-BZWSEGBZSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds1

About (Z)-2,2-dimethylhex-4-en-3-imine

(Z)-2,2-dimethylhex-4-en-3-imine (PubChem CID 123173304) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (Z)-2,2-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2,2-dimethylhex-4-en-3-imine
PubChem CID123173304
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(Z)-2,2-dimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-6-7(9)8(2,3)4/h5-6,9H,1-4H3/b6-5-,9-7+
InChIKeyUCTNIYCMIQYJRB-BZWSEGBZSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
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)-2,2-dimethylhex-4-en-3-imine?
The IUPAC name of (Z)-2,2-dimethylhex-4-en-3-imine (CID 123173304) is (Z)-2,2-dimethylhex-4-en-3-imine.
What is the SMILES notation for (Z)-2,2-dimethylhex-4-en-3-imine?
The canonical SMILES for (Z)-2,2-dimethylhex-4-en-3-imine is [H]/N=C(\C=C/C)C(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethylhex-4-en-3-imine?
The InChIKey is UCTNIYCMIQYJRB-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-7(9)8(2,3)4/h5-6,9H,1-4H3/b6-5-,9-7+.
What are the key properties of (Z)-2,2-dimethylhex-4-en-3-imine?
(Z)-2,2-dimethylhex-4-en-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethylhex-4-en-3-imine is sourced from PubChem (CID 123173304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).