4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine

C10H20N2O — CID 66257389

IUPAC4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNC1CC1
InChIInChI=1S/C10H20N2O/c1-2-11-10-7-13-6-8(10)5-12-9-3-4-9/h8-12H,2-7H2,1H3
InChIKeyQAZMOBWXZPPJIZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.36
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine

4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine (PubChem CID 66257389) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
PubChem CID66257389
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNC1CC1
InChIInChI=1S/C10H20N2O/c1-2-11-10-7-13-6-8(10)5-12-9-3-4-9/h8-12H,2-7H2,1H3
InChIKeyQAZMOBWXZPPJIZ-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine (CID 66257389) is 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine?
The InChIKey is QAZMOBWXZPPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-11-10-7-13-6-8(10)5-12-9-3-4-9/h8-12H,2-7H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine?
4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 66257389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).