N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine

C9H18N2O2 — CID 142435070

IUPACN-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine
SMILESC1CCC(CNOC2CNC2)OC1
InChIInChI=1S/C9H18N2O2/c1-2-4-12-8(3-1)7-11-13-9-5-10-6-9/h8-11H,1-7H2
InChIKeyBAKVWAJAQSVYGD-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.05
Rot. Bonds4

About N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine

N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine (PubChem CID 142435070) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine
PubChem CID142435070
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine
SMILESC1CCC(CNOC2CNC2)OC1
InChIInChI=1S/C9H18N2O2/c1-2-4-12-8(3-1)7-11-13-9-5-10-6-9/h8-11H,1-7H2
InChIKeyBAKVWAJAQSVYGD-UHFFFAOYSA-N
XLogP0.05
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-(oxan-2-ylmethylamino)ethylurea
CID 83120835

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine?
The IUPAC name of N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine (CID 142435070) is N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine is C1CCC(CNOC2CNC2)OC1.
What is the InChIKey of N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine?
The InChIKey is BAKVWAJAQSVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-4-12-8(3-1)7-11-13-9-5-10-6-9/h8-11H,1-7H2.
What are the key properties of N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine?
N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine has a molecular weight of 186.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yloxy)-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 142435070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).