4-[[ethyl(propyl)amino]methyl]oxolan-3-amine

C10H22N2O — CID 66235296

IUPAC4-[[ethyl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC)CC1COCC1N
InChIInChI=1S/C10H22N2O/c1-3-5-12(4-2)6-9-7-13-8-10(9)11/h9-10H,3-8,11H2,1-2H3
InChIKeyXQXDRNXZIMJZSP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

About 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine

4-[[ethyl(propyl)amino]methyl]oxolan-3-amine (PubChem CID 66235296) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(propyl)amino]methyl]oxolan-3-amine
PubChem CID66235296
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[[ethyl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC)CC1COCC1N
InChIInChI=1S/C10H22N2O/c1-3-5-12(4-2)6-9-7-13-8-10(9)11/h9-10H,3-8,11H2,1-2H3
InChIKeyXQXDRNXZIMJZSP-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine (CID 66235296) is 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine is CCCN(CC)CC1COCC1N.
What is the InChIKey of 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine?
The InChIKey is XQXDRNXZIMJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-12(4-2)6-9-7-13-8-10(9)11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine?
4-[[ethyl(propyl)amino]methyl]oxolan-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).