N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine

C10H19N — CID 123544813

IUPACN-(4-ethyl-4-methylhex-2-en-3-yl)methanimine
SMILESC=NC(=CC)C(C)(CC)CC
InChIInChI=1S/C10H19N/c1-6-9(11-5)10(4,7-2)8-3/h6H,5,7-8H2,1-4H3
InChIKeyWTXZMAVNEJMYSE-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds4

About N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine

N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine (PubChem CID 123544813) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethyl-4-methylhex-2-en-3-yl)methanimine
PubChem CID123544813
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(4-ethyl-4-methylhex-2-en-3-yl)methanimine
SMILESC=NC(=CC)C(C)(CC)CC
InChIInChI=1S/C10H19N/c1-6-9(11-5)10(4,7-2)8-3/h6H,5,7-8H2,1-4H3
InChIKeyWTXZMAVNEJMYSE-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
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 N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine?
The IUPAC name of N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine (CID 123544813) is N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine.
What is the SMILES notation for N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine?
The canonical SMILES for N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine is C=NC(=CC)C(C)(CC)CC.
What is the InChIKey of N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine?
The InChIKey is WTXZMAVNEJMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-9(11-5)10(4,7-2)8-3/h6H,5,7-8H2,1-4H3.
What are the key properties of N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine?
N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine is sourced from PubChem (CID 123544813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).