4-[(dimethylamino)methyl]oxolan-3-amine

C7H16N2O — CID 66237318

IUPAC4-[(dimethylamino)methyl]oxolan-3-amine
SMILESCN(C)CC1COCC1N
InChIInChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3
InChIKeyKZGZNDKRAMYHMQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.48
Rot. Bonds2

About 4-[(dimethylamino)methyl]oxolan-3-amine

4-[(dimethylamino)methyl]oxolan-3-amine (PubChem CID 66237318) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]oxolan-3-amine
PubChem CID66237318
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-[(dimethylamino)methyl]oxolan-3-amine
SMILESCN(C)CC1COCC1N
InChIInChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3
InChIKeyKZGZNDKRAMYHMQ-UHFFFAOYSA-N
XLogP-0.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(dimethylamino)methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(dimethylamino)methyl]oxolan-3-amine (CID 66237318) is 4-[(dimethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]oxolan-3-amine is CN(C)CC1COCC1N.
What is the InChIKey of 4-[(dimethylamino)methyl]oxolan-3-amine?
The InChIKey is KZGZNDKRAMYHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)3-6-4-10-5-7(6)8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]oxolan-3-amine?
4-[(dimethylamino)methyl]oxolan-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66237318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).