3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine

C10H20N2O — CID 64893425

IUPAC3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1(N)CCOC1)C1CC1
InChIInChI=1S/C10H20N2O/c1-2-12(9-3-4-9)7-10(11)5-6-13-8-10/h9H,2-8,11H2,1H3
InChIKeySXXBPWLNBCOATC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds4

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

3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine (PubChem CID 64893425) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine
PubChem CID64893425
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1(N)CCOC1)C1CC1
InChIInChI=1S/C10H20N2O/c1-2-12(9-3-4-9)7-10(11)5-6-13-8-10/h9H,2-8,11H2,1H3
InChIKeySXXBPWLNBCOATC-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine (CID 64893425) is 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine is CCN(CC1(N)CCOC1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine?
The InChIKey is SXXBPWLNBCOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-12(9-3-4-9)7-10(11)5-6-13-8-10/h9H,2-8,11H2,1H3.
What are the key properties of 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine?
3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).