3-methyl-N-(oxan-4-yl)butan-2-imine

C10H19NO — CID 123654655

IUPAC3-methyl-N-(oxan-4-yl)butan-2-imine
SMILESC/C(=N\C1CCOCC1)C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8,10H,4-7H2,1-3H3/b11-9+
InChIKeyIVNOWDFUGABTQJ-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.28
Rot. Bonds2

About 3-methyl-N-(oxan-4-yl)butan-2-imine

3-methyl-N-(oxan-4-yl)butan-2-imine (PubChem CID 123654655) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-yl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-yl)butan-2-imine
PubChem CID123654655
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-(oxan-4-yl)butan-2-imine
SMILESC/C(=N\C1CCOCC1)C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8,10H,4-7H2,1-3H3/b11-9+
InChIKeyIVNOWDFUGABTQJ-PKNBQFBNSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

N-propan-2-yloxan-4-imine
CID 17777673
N-(oxan-4-yl)propan-2-imine
CID 90852219
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
N-(oxan-4-ylmethyl)butan-2-imine
CID 123399638
N-methyl-1-(oxan-4-yl)ethanimine
CID 123881183
2-methyl-N-(oxan-4-yl)propan-1-imine
CID 123980513
2-Methyl-5-(oxan-4-yl)-2,3-dihydropyrazine
CID 129305119
N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
CID 134221082
2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
CID 143755074
3-methyl-N-(4-methyloxan-3-yl)butan-2-imine
CID 156090899
4-ethoxy-3-methyl-N-(2-methylpropyl)butan-2-imine
CID 169114133
2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine
CID 169221788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-yl)butan-2-imine?
The IUPAC name of 3-methyl-N-(oxan-4-yl)butan-2-imine (CID 123654655) is 3-methyl-N-(oxan-4-yl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(oxan-4-yl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(oxan-4-yl)butan-2-imine is C/C(=N\C1CCOCC1)C(C)C.
What is the InChIKey of 3-methyl-N-(oxan-4-yl)butan-2-imine?
The InChIKey is IVNOWDFUGABTQJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8,10H,4-7H2,1-3H3/b11-9+.
What are the key properties of 3-methyl-N-(oxan-4-yl)butan-2-imine?
3-methyl-N-(oxan-4-yl)butan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-yl)butan-2-imine is sourced from PubChem (CID 123654655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).