N-(4-ethoxybutyl)-4-methylpentan-2-imine

C12H25NO — CID 146324925

IUPACN-(4-ethoxybutyl)-4-methylpentan-2-imine
SMILESCCOCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-7-6-8-13-12(4)10-11(2)3/h11H,5-10H2,1-4H3/b13-12+
InChIKeyVROIXVXMOLMKMA-OUKQBFOZSA-N
MW199.34 g/mol
LogP3.31
Rot. Bonds8

About N-(4-ethoxybutyl)-4-methylpentan-2-imine

N-(4-ethoxybutyl)-4-methylpentan-2-imine (PubChem CID 146324925) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-4-methylpentan-2-imine
PubChem CID146324925
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(4-ethoxybutyl)-4-methylpentan-2-imine
SMILESCCOCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-7-6-8-13-12(4)10-11(2)3/h11H,5-10H2,1-4H3/b13-12+
InChIKeyVROIXVXMOLMKMA-OUKQBFOZSA-N
XLogP3.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-ethoxybutyl)-4-methylpentan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(2-methylbutoxy)ethyl]pentan-2-imine
CID 23558087
4-methyl-N-[2-(2-methylpropoxy)ethyl]pentan-2-imine
CID 23558089
CID 59037760
CID 59037760
CID 59037762
CID 59037762
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
N-(oxan-4-ylmethyl)butan-2-imine
CID 123399638
N-(4-ethoxy-4-methylpentyl)propan-2-imine
CID 151387222
N-(4-methoxy-4-methylpentyl)pentan-3-imine
CID 152371620
4-(2-Methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole
CID 166764830
4-ethoxy-3-methyl-N-(2-methylpropyl)butan-2-imine
CID 169114133
N-(2-ethoxyethyl)-4-methylpentan-2-imine
CID 173075673
4-(4-Methylpentan-2-ylideneamino)butan-1-ol
CID 173350729

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-4-methylpentan-2-imine?
The IUPAC name of N-(4-ethoxybutyl)-4-methylpentan-2-imine (CID 146324925) is N-(4-ethoxybutyl)-4-methylpentan-2-imine.
What is the SMILES notation for N-(4-ethoxybutyl)-4-methylpentan-2-imine?
The canonical SMILES for N-(4-ethoxybutyl)-4-methylpentan-2-imine is CCOCCCC/N=C(\C)CC(C)C.
What is the InChIKey of N-(4-ethoxybutyl)-4-methylpentan-2-imine?
The InChIKey is VROIXVXMOLMKMA-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-9-7-6-8-13-12(4)10-11(2)3/h11H,5-10H2,1-4H3/b13-12+.
What are the key properties of N-(4-ethoxybutyl)-4-methylpentan-2-imine?
N-(4-ethoxybutyl)-4-methylpentan-2-imine has a molecular weight of 199.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-4-methylpentan-2-imine is sourced from PubChem (CID 146324925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).