(Z)-N,2,2-trimethylhex-4-en-3-imine

C9H17N — CID 143781544

IUPAC(Z)-N,2,2-trimethylhex-4-en-3-imine
SMILESC/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h6-7H,1-5H3/b7-6-,10-8+
InChIKeyRENXJVIMXCUANV-VAAURPRASA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds1

About (Z)-N,2,2-trimethylhex-4-en-3-imine

(Z)-N,2,2-trimethylhex-4-en-3-imine (PubChem CID 143781544) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N,2,2-trimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N,2,2-trimethylhex-4-en-3-imine
PubChem CID143781544
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N,2,2-trimethylhex-4-en-3-imine
SMILESC/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h6-7H,1-5H3/b7-6-,10-8+
InChIKeyRENXJVIMXCUANV-VAAURPRASA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
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,2,2-trimethylhex-4-en-3-imine?
The IUPAC name of (Z)-N,2,2-trimethylhex-4-en-3-imine (CID 143781544) is (Z)-N,2,2-trimethylhex-4-en-3-imine.
What is the SMILES notation for (Z)-N,2,2-trimethylhex-4-en-3-imine?
The canonical SMILES for (Z)-N,2,2-trimethylhex-4-en-3-imine is C/C=C\C(=N/C)C(C)(C)C.
What is the InChIKey of (Z)-N,2,2-trimethylhex-4-en-3-imine?
The InChIKey is RENXJVIMXCUANV-VAAURPRASA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h6-7H,1-5H3/b7-6-,10-8+.
What are the key properties of (Z)-N,2,2-trimethylhex-4-en-3-imine?
(Z)-N,2,2-trimethylhex-4-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,2-trimethylhex-4-en-3-imine is sourced from PubChem (CID 143781544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).