N-methyl-2-[(3S)-oxan-3-yl]ethanimine

C8H15NO — CID 58329993

IUPACN-methyl-2-[(3S)-oxan-3-yl]ethanimine
SMILESC/N=C/C[C@@H]1CCCOC1
InChIInChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+/t8-/m0/s1
InChIKeyZYCRJHDWSXEKAC-MOIHINDBSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-2-[(3S)-oxan-3-yl]ethanimine

N-methyl-2-[(3S)-oxan-3-yl]ethanimine (PubChem CID 58329993) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-[(3S)-oxan-3-yl]ethanimine.

Molecular Properties

Compound NameN-methyl-2-[(3S)-oxan-3-yl]ethanimine
PubChem CID58329993
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-[(3S)-oxan-3-yl]ethanimine
SMILESC/N=C/C[C@@H]1CCCOC1
InChIInChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+/t8-/m0/s1
InChIKeyZYCRJHDWSXEKAC-MOIHINDBSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

CID 14875994
CID 14875994
CID 58011503
CID 58011503
CID 66867748
CID 66867748
CID 67251686
CID 67251686
CID 87567954
CID 87567954
CID 138714745
CID 138714745
CID 140972594
CID 140972594
CID 163460414
CID 163460414
CID 169221792
CID 169221792
CID 169221799
CID 169221799
CID 133663987
CID 133663987
CID 144905923
CID 144905923

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-oxan-3-yl]ethanimine?
The IUPAC name of N-methyl-2-[(3S)-oxan-3-yl]ethanimine (CID 58329993) is N-methyl-2-[(3S)-oxan-3-yl]ethanimine.
What is the SMILES notation for N-methyl-2-[(3S)-oxan-3-yl]ethanimine?
The canonical SMILES for N-methyl-2-[(3S)-oxan-3-yl]ethanimine is C/N=C/C[C@@H]1CCCOC1.
What is the InChIKey of N-methyl-2-[(3S)-oxan-3-yl]ethanimine?
The InChIKey is ZYCRJHDWSXEKAC-MOIHINDBSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+/t8-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-oxan-3-yl]ethanimine?
N-methyl-2-[(3S)-oxan-3-yl]ethanimine has a molecular weight of 141.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-oxan-3-yl]ethanimine is sourced from PubChem (CID 58329993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).