N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine

C12H23NO2 — CID 115710912

IUPACN-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1CCCOC1)C1CCOC1
InChIInChI=1S/C12H23NO2/c1-10(12-4-6-15-9-12)13-7-11-3-2-5-14-8-11/h10-13H,2-9H2,1H3
InChIKeyITTRCDUHYXYWIM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds4

About N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine

N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 115710912) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
PubChem CID115710912
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1CCCOC1)C1CCOC1
InChIInChI=1S/C12H23NO2/c1-10(12-4-6-15-9-12)13-7-11-3-2-5-14-8-11/h10-13H,2-9H2,1H3
InChIKeyITTRCDUHYXYWIM-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670
N-(oxan-3-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 54906402
1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
CID 61020377
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine (CID 115710912) is N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine is CC(NCC1CCCOC1)C1CCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is ITTRCDUHYXYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(12-4-6-15-9-12)13-7-11-3-2-5-14-8-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine?
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115710912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).