N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine

C9H17N — CID 126591167

IUPACN-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine
SMILESC=NC(C)C(C)/C(C)=C/C
InChIInChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6,8-9H,5H2,1-4H3/b7-6+
InChIKeyCAZVEXXUHBSPGH-VOTSOKGWSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine

N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine (PubChem CID 126591167) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine
PubChem CID126591167
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine
SMILESC=NC(C)C(C)/C(C)=C/C
InChIInChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6,8-9H,5H2,1-4H3/b7-6+
InChIKeyCAZVEXXUHBSPGH-VOTSOKGWSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine?
The IUPAC name of N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine (CID 126591167) is N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine is C=NC(C)C(C)/C(C)=C/C.
What is the InChIKey of N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine?
The InChIKey is CAZVEXXUHBSPGH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6,8-9H,5H2,1-4H3/b7-6+.
What are the key properties of N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine?
N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine is sourced from PubChem (CID 126591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).