2-(oxan-3-yl)propan-2-amine

C8H17NO — CID 82417868

IUPAC2-(oxan-3-yl)propan-2-amine
SMILESCC(C)(N)C1CCCOC1
InChIInChI=1S/C8H17NO/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3
InChIKeyGLXCJRMYUYSPJU-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About 2-(oxan-3-yl)propan-2-amine

2-(oxan-3-yl)propan-2-amine (PubChem CID 82417868) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(oxan-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(oxan-3-yl)propan-2-amine
PubChem CID82417868
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(oxan-3-yl)propan-2-amine
SMILESCC(C)(N)C1CCCOC1
InChIInChI=1S/C8H17NO/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3
InChIKeyGLXCJRMYUYSPJU-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxepan-4-yl)propan-2-amine
CID 84650641
3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690
1,1-difluoro-1-(oxan-3-yl)propan-2-amine
CID 105437927
2-methoxy-2-(oxan-3-yl)propanamide
CID 177167479
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
N-[3-methyl-3-(oxan-3-yl)butyl]cyclopropanamine
CID 107138108
2-methoxy-2-(oxan-3-yl)propanoic acid
CID 105443022
1-(oxan-3-yl)-1-phenylbutan-1-amine
CID 107135814
2-amino-2-cyclopropyl-N-(oxan-3-yl)propanamide
CID 63361253
2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
CID 134256683

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)propan-2-amine?
The IUPAC name of 2-(oxan-3-yl)propan-2-amine (CID 82417868) is 2-(oxan-3-yl)propan-2-amine.
What is the SMILES notation for 2-(oxan-3-yl)propan-2-amine?
The canonical SMILES for 2-(oxan-3-yl)propan-2-amine is CC(C)(N)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)propan-2-amine?
The InChIKey is GLXCJRMYUYSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,9)7-4-3-5-10-6-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(oxan-3-yl)propan-2-amine?
2-(oxan-3-yl)propan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)propan-2-amine is sourced from PubChem (CID 82417868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).