N-(oxan-4-yl)propan-2-imine

C8H15NO — CID 90852219

IUPACN-(oxan-4-yl)propan-2-imine
SMILESCC(C)=NC1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(2)9-8-3-5-10-6-4-8/h8H,3-6H2,1-2H3
InChIKeyKLMYDDUUWZNCDB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.65
Rot. Bonds1

About N-(oxan-4-yl)propan-2-imine

N-(oxan-4-yl)propan-2-imine (PubChem CID 90852219) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(oxan-4-yl)propan-2-imine.

Molecular Properties

Compound NameN-(oxan-4-yl)propan-2-imine
PubChem CID90852219
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(oxan-4-yl)propan-2-imine
SMILESCC(C)=NC1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(2)9-8-3-5-10-6-4-8/h8H,3-6H2,1-2H3
InChIKeyKLMYDDUUWZNCDB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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

2-butyl-5,6-dihydro-4H-1,3-oxazine
CID 10855556
N-propan-2-yloxan-4-imine
CID 17777673
2,4-dimethyl-5,6-dihydro-4H-1,3-oxazine
CID 53667577
4-ethyl-2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 53843140
4-(2-methoxyethyl)-2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 54262544
2-methyl-4-propyl-5,6-dihydro-4H-1,3-oxazine
CID 54569681
2,4-dimethyl-5,6-dihydro-4H-1,3-oxazine;ethane
CID 91227881
4-ethyl-2,6-dimethyl-5,6-dihydro-4H-1,3-oxazine
CID 123560956
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
N-(oxan-4-yl)ethanimine
CID 123973624
N-methyloxan-4-imine
CID 143572924

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)propan-2-imine?
The IUPAC name of N-(oxan-4-yl)propan-2-imine (CID 90852219) is N-(oxan-4-yl)propan-2-imine.
What is the SMILES notation for N-(oxan-4-yl)propan-2-imine?
The canonical SMILES for N-(oxan-4-yl)propan-2-imine is CC(C)=NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)propan-2-imine?
The InChIKey is KLMYDDUUWZNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-8-3-5-10-6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of N-(oxan-4-yl)propan-2-imine?
N-(oxan-4-yl)propan-2-imine has a molecular weight of 141.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)propan-2-imine is sourced from PubChem (CID 90852219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).