(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine

C12H23N — CID 134433392

IUPAC(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine
SMILESCCC(C)C(=C/CC(C)C)/C=N/C
InChIInChI=1S/C12H23N/c1-6-11(4)12(9-13-5)8-7-10(2)3/h8-11H,6-7H2,1-5H3/b12-8+,13-9+
InChIKeyWAARJDTXWJADIC-QHKWOANTSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds5

About (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine

(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine (PubChem CID 134433392) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine
PubChem CID134433392
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine
SMILESCCC(C)C(=C/CC(C)C)/C=N/C
InChIInChI=1S/C12H23N/c1-6-11(4)12(9-13-5)8-7-10(2)3/h8-11H,6-7H2,1-5H3/b12-8+,13-9+
InChIKeyWAARJDTXWJADIC-QHKWOANTSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.71
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)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine?
The IUPAC name of (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine (CID 134433392) is (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine.
What is the SMILES notation for (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine?
The canonical SMILES for (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine is CCC(C)C(=C/CC(C)C)/C=N/C.
What is the InChIKey of (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine?
The InChIKey is WAARJDTXWJADIC-QHKWOANTSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(4)12(9-13-5)8-7-10(2)3/h8-11H,6-7H2,1-5H3/b12-8+,13-9+.
What are the key properties of (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine?
(Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butan-2-yl-N,5-dimethylhex-2-en-1-imine is sourced from PubChem (CID 134433392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).