4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol

C11H24N2O2 — CID 103060860

IUPAC4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC1COCCC1N
InChIInChI=1S/C11H24N2O2/c1-9(14)3-5-13(2)7-10-8-15-6-4-11(10)12/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBVIUDHQOOYPMDV-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.05
Rot. Bonds5

About 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol

4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol (PubChem CID 103060860) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
PubChem CID103060860
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC1COCCC1N
InChIInChI=1S/C11H24N2O2/c1-9(14)3-5-13(2)7-10-8-15-6-4-11(10)12/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBVIUDHQOOYPMDV-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol 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

3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
CID 103060776
4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol
CID 104523833
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 103059874
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol (CID 103060860) is 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol is CC(O)CCN(C)CC1COCCC1N.
What is the InChIKey of 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol?
The InChIKey is BVIUDHQOOYPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(14)3-5-13(2)7-10-8-15-6-4-11(10)12/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol?
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 103060860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).