2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine

C9H19NO3 — CID 60815560

IUPAC2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOC(CNCC1CCOC1)OC
InChIInChI=1S/C9H19NO3/c1-11-9(12-2)6-10-5-8-3-4-13-7-8/h8-10H,3-7H2,1-2H3
InChIKeyBEYKYBCEWUCSNE-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.23
Rot. Bonds6

About 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine

2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60815560) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60815560
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOC(CNCC1CCOC1)OC
InChIInChI=1S/C9H19NO3/c1-11-9(12-2)6-10-5-8-3-4-13-7-8/h8-10H,3-7H2,1-2H3
InChIKeyBEYKYBCEWUCSNE-UHFFFAOYSA-N
XLogP0.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2,2-dimethoxy-N-(thian-4-ylmethyl)ethanamine
CID 112704412

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine (CID 60815560) is 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine is COC(CNCC1CCOC1)OC.
What is the InChIKey of 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is BEYKYBCEWUCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-9(12-2)6-10-5-8-3-4-13-7-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine?
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 189.25 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60815560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).