(4S)-4-methyloxan-3-imine

C6H11NO — CID 169254327

IUPAC(4S)-4-methyloxan-3-imine
SMILES[H]/N=C1\COCC[C@@H]1C
InChIInChI=1S/C6H11NO/c1-5-2-3-8-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m0/s1
InChIKeyNAEOVJNYXKGNPK-UNPHKUQDSA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds

About (4S)-4-methyloxan-3-imine

(4S)-4-methyloxan-3-imine (PubChem CID 169254327) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4S)-4-methyloxan-3-imine.

Molecular Properties

Compound Name(4S)-4-methyloxan-3-imine
PubChem CID169254327
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4S)-4-methyloxan-3-imine
SMILES[H]/N=C1\COCC[C@@H]1C
InChIInChI=1S/C6H11NO/c1-5-2-3-8-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m0/s1
InChIKeyNAEOVJNYXKGNPK-UNPHKUQDSA-N
XLogP1.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxan-3-imine
CID 91515813
1-(2-Imino-3-methylpentoxy)-3-methylpentan-2-imine
CID 23165395
Methyl oxane-4-carboximidate
CID 62384647
Ethyl oxane-4-carboximidate
CID 62384649
Methyl oxane-4-carboximidate;hydrochloride
CID 69079042
4-Methyloxan-2-imine
CID 70346812
1-(Oxolan-3-yl)ethanimine
CID 123431537
1-(Oxan-4-yl)ethanimine
CID 126707160
1-(Oxan-4-yl)ethylidenehydrazine
CID 130767608
1-(Oxan-4-yl)propan-2-imine
CID 138517546
Oxan-3-ylideneazanium
CID 142527776
3-Methyloxan-2-imine
CID 145278326

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyloxan-3-imine?
The IUPAC name of (4S)-4-methyloxan-3-imine (CID 169254327) is (4S)-4-methyloxan-3-imine.
What is the SMILES notation for (4S)-4-methyloxan-3-imine?
The canonical SMILES for (4S)-4-methyloxan-3-imine is [H]/N=C1\COCC[C@@H]1C.
What is the InChIKey of (4S)-4-methyloxan-3-imine?
The InChIKey is NAEOVJNYXKGNPK-UNPHKUQDSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-3-8-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m0/s1.
What are the key properties of (4S)-4-methyloxan-3-imine?
(4S)-4-methyloxan-3-imine has a molecular weight of 113.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyloxan-3-imine is sourced from PubChem (CID 169254327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).