N-methyl-1-(oxan-4-yl)ethanimine

C8H15NO — CID 123881183

IUPACN-methyl-1-(oxan-4-yl)ethanimine
SMILESC/N=C(\C)C1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(9-2)8-3-5-10-6-4-8/h8H,3-6H2,1-2H3/b9-7+
InChIKeyDUCGKTXPXZBMFM-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds1

About N-methyl-1-(oxan-4-yl)ethanimine

N-methyl-1-(oxan-4-yl)ethanimine (PubChem CID 123881183) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)ethanimine
PubChem CID123881183
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-1-(oxan-4-yl)ethanimine
SMILESC/N=C(\C)C1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(9-2)8-3-5-10-6-4-8/h8H,3-6H2,1-2H3/b9-7+
InChIKeyDUCGKTXPXZBMFM-VQHVLOKHSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yloxan-4-imine
CID 17777673
4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
CID 22898647
(2R,5S,6S)-2,4,5,6-tetramethyl-5,6-dihydro-2H-1,3-oxazine
CID 54381164
N-tert-butyl-2-(oxan-4-yl)ethanimine
CID 66867748
N-methyl-1-[(3S)-oxan-3-yl]ethanimine
CID 87567954
ethyl N-methyl-2-(oxan-4-yl)ethanimidate
CID 89020400
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
N-(oxan-4-ylmethyl)butan-2-imine
CID 123399638
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
1-(Oxan-4-yl)ethanimine
CID 126707160
N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
CID 134221082
N-methyl-1-(oxan-4-yl)methanimine
CID 138714745

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)ethanimine?
The IUPAC name of N-methyl-1-(oxan-4-yl)ethanimine (CID 123881183) is N-methyl-1-(oxan-4-yl)ethanimine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)ethanimine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)ethanimine is C/N=C(\C)C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)ethanimine?
The InChIKey is DUCGKTXPXZBMFM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9-2)8-3-5-10-6-4-8/h8H,3-6H2,1-2H3/b9-7+.
What are the key properties of N-methyl-1-(oxan-4-yl)ethanimine?
N-methyl-1-(oxan-4-yl)ethanimine has a molecular weight of 141.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)ethanimine is sourced from PubChem (CID 123881183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).