2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C13H25NO3 — CID 55092213

IUPAC2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)OCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-11(17-10-12-4-6-15-9-12)7-14-8-13-3-2-5-16-13/h11-14H,2-10H2,1H3
InChIKeyLHXFDSMDSMGDLR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds7

About 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55092213) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55092213
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)OCC1CCOC1
InChIInChI=1S/C13H25NO3/c1-11(17-10-12-4-6-15-9-12)7-14-8-13-3-2-5-16-13/h11-14H,2-10H2,1H3
InChIKeyLHXFDSMDSMGDLR-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093361
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 104567121
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55092213) is 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)OCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is LHXFDSMDSMGDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(17-10-12-4-6-15-9-12)7-14-8-13-3-2-5-16-13/h11-14H,2-10H2,1H3.
What are the key properties of 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55092213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).