N-(oxan-4-ylmethyl)butan-2-imine

C10H19NO — CID 123399638

IUPACN-(oxan-4-ylmethyl)butan-2-imine
SMILESCC/C(C)=N/CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h10H,3-8H2,1-2H3/b11-9+
InChIKeyGCIBAOZIBRABTL-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.28
Rot. Bonds3

About N-(oxan-4-ylmethyl)butan-2-imine

N-(oxan-4-ylmethyl)butan-2-imine (PubChem CID 123399638) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)butan-2-imine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)butan-2-imine
PubChem CID123399638
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(oxan-4-ylmethyl)butan-2-imine
SMILESCC/C(C)=N/CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h10H,3-8H2,1-2H3/b11-9+
InChIKeyGCIBAOZIBRABTL-PKNBQFBNSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(oxan-4-ylmethyl)butan-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

N-tert-butyl-2-(oxan-4-yl)ethanimine
CID 66867748
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
N-methyl-1-(oxan-4-yl)ethanimine
CID 123881183
N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine
CID 130452359
N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
CID 134221082
N-(4-ethoxybutyl)-4-methylpentan-2-imine
CID 146324925
3-methyl-N-(4-methyloxan-3-yl)butan-2-imine
CID 156090899
4-tert-butyl-2-(oxan-4-yl)-2H-imidazole
CID 156146178
ethane;N'-methyl-N-propan-2-ylideneoxane-4-carboximidamide
CID 164926616
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide;ethane
CID 164926703
N-butan-2-ylidene-N'-methyloxane-4-carboximidamide
CID 164926704

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)butan-2-imine?
The IUPAC name of N-(oxan-4-ylmethyl)butan-2-imine (CID 123399638) is N-(oxan-4-ylmethyl)butan-2-imine.
What is the SMILES notation for N-(oxan-4-ylmethyl)butan-2-imine?
The canonical SMILES for N-(oxan-4-ylmethyl)butan-2-imine is CC/C(C)=N/CC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)butan-2-imine?
The InChIKey is GCIBAOZIBRABTL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h10H,3-8H2,1-2H3/b11-9+.
What are the key properties of N-(oxan-4-ylmethyl)butan-2-imine?
N-(oxan-4-ylmethyl)butan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)butan-2-imine is sourced from PubChem (CID 123399638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).