4-methyloxolan-3-amine

C5H11NO — CID 59657855

IUPAC4-methyloxolan-3-amine
SMILESCC1COCC1N
InChIInChI=1S/C5H11NO/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyYGAMXHGNEOFJNN-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.02
Rot. Bonds

About 4-methyloxolan-3-amine

4-methyloxolan-3-amine (PubChem CID 59657855) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-methyloxolan-3-amine
PubChem CID59657855
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-methyloxolan-3-amine
SMILESCC1COCC1N
InChIInChI=1S/C5H11NO/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKeyYGAMXHGNEOFJNN-UHFFFAOYSA-N
XLogP-0.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyloxolan-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

Related Compounds

Oxolan-3-amine
CID 3365553
1-Methoxy-3-methylbutan-2-amine
CID 12839819
(3S)-oxolan-3-amine hydrochloride
CID 18664284
(R)-3-Aminotetrahydrofuran
CID 10996958
3-Aminotetrahydrofuran hydrochloride
CID 22239904
1-Ethoxy-3-methylbutan-2-amine
CID 45074954
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
2,2-Dimethyloxolan-3-amine
CID 59657974
4,4-Dimethyloxolan-3-amine hydrochloride
CID 67002020
4-Ethyloxolan-3-amine
CID 83478548
rac-(3R,4S)-4-methyloxolan-3-amine hydrochloride
CID 131632274
(S)-3-Aminotetrahydrofuran
CID 14243168

Frequently Asked Questions

What is the IUPAC name of 4-methyloxolan-3-amine?
The IUPAC name of 4-methyloxolan-3-amine (CID 59657855) is 4-methyloxolan-3-amine.
What is the SMILES notation for 4-methyloxolan-3-amine?
The canonical SMILES for 4-methyloxolan-3-amine is CC1COCC1N.
What is the InChIKey of 4-methyloxolan-3-amine?
The InChIKey is YGAMXHGNEOFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-methyloxolan-3-amine?
4-methyloxolan-3-amine has a molecular weight of 101.15 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxolan-3-amine is sourced from PubChem (CID 59657855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).