3-propan-2-ylmorpholin-4-amine

C7H16N2O — CID 139481261

IUPAC3-propan-2-ylmorpholin-4-amine
SMILESCC(C)C1COCCN1N
InChIInChI=1S/C7H16N2O/c1-6(2)7-5-10-4-3-9(7)8/h6-7H,3-5,8H2,1-2H3
InChIKeyWBSVOSWIOCGKMO-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.22
Rot. Bonds1

About 3-propan-2-ylmorpholin-4-amine

3-propan-2-ylmorpholin-4-amine (PubChem CID 139481261) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-propan-2-ylmorpholin-4-amine.

Molecular Properties

Compound Name3-propan-2-ylmorpholin-4-amine
PubChem CID139481261
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-propan-2-ylmorpholin-4-amine
SMILESCC(C)C1COCCN1N
InChIInChI=1S/C7H16N2O/c1-6(2)7-5-10-4-3-9(7)8/h6-7H,3-5,8H2,1-2H3
InChIKeyWBSVOSWIOCGKMO-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 3-propan-2-ylmorpholin-4-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

2-methyl-1-(3-propan-2-ylmorpholin-4-yl)propan-1-one
CID 139553994
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
(3S)-3-iodomorpholin-4-amine
CID 126516016
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
3-(difluoromethyl)-4-methylmorpholine
CID 137453756
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
CID 118445298
3,4-di(propan-2-yl)-1,3-oxazolidine
CID 58916313
4-(4-aminomorpholin-3-yl)-4-oxobutanal
CID 175865911
4-N,4-N-dimethylmorpholine-3,4-diamine
CID 142701780
4-(4-oxopentan-2-yl)morpholine-3-carboxamide
CID 83096571
3-fluoro-4-propan-2-ylmorpholine
CID 141026156

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylmorpholin-4-amine?
The IUPAC name of 3-propan-2-ylmorpholin-4-amine (CID 139481261) is 3-propan-2-ylmorpholin-4-amine.
What is the SMILES notation for 3-propan-2-ylmorpholin-4-amine?
The canonical SMILES for 3-propan-2-ylmorpholin-4-amine is CC(C)C1COCCN1N.
What is the InChIKey of 3-propan-2-ylmorpholin-4-amine?
The InChIKey is WBSVOSWIOCGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)7-5-10-4-3-9(7)8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3-propan-2-ylmorpholin-4-amine?
3-propan-2-ylmorpholin-4-amine has a molecular weight of 144.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylmorpholin-4-amine is sourced from PubChem (CID 139481261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).