[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine

C10H20N2O — CID 130874622

IUPAC[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
SMILESCC1(C)CN(C2(CN)CCOC2)C1
InChIInChI=1S/C10H20N2O/c1-9(2)6-12(7-9)10(5-11)3-4-13-8-10/h3-8,11H2,1-2H3
InChIKeyTYWATBUQNUWKOP-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.45
Rot. Bonds2

About [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine

[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine (PubChem CID 130874622) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
PubChem CID130874622
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
SMILESCC1(C)CN(C2(CN)CCOC2)C1
InChIInChI=1S/C10H20N2O/c1-9(2)6-12(7-9)10(5-11)3-4-13-8-10/h3-8,11H2,1-2H3
InChIKeyTYWATBUQNUWKOP-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
(3-thiomorpholin-4-yloxolan-3-yl)methanamine
CID 63335224
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335770
[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335341
[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
CID 79188765
1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
CID 114170682
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
CID 104689369
(3-methyloxolan-3-yl)methanethiol
CID 155973621

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine (CID 130874622) is [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine is CC1(C)CN(C2(CN)CCOC2)C1.
What is the InChIKey of [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine?
The InChIKey is TYWATBUQNUWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)6-12(7-9)10(5-11)3-4-13-8-10/h3-8,11H2,1-2H3.
What are the key properties of [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine?
[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 130874622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).