N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine

C12H23NO2 — CID 116521230

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
SMILESCC1(C)CCC(CNC2CCOCC2)O1
InChIInChI=1S/C12H23NO2/c1-12(2)6-3-11(15-12)9-13-10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyUZXFNTNESNXWOH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds3

About N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine (PubChem CID 116521230) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
PubChem CID116521230
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
SMILESCC1(C)CCC(CNC2CCOCC2)O1
InChIInChI=1S/C12H23NO2/c1-12(2)6-3-11(15-12)9-13-10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyUZXFNTNESNXWOH-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 116521533
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 116521499
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 82834063
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine (CID 116521230) is N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine is CC1(C)CCC(CNC2CCOCC2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine?
The InChIKey is UZXFNTNESNXWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)6-3-11(15-12)9-13-10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 116521230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).