1-aminopropan-1-ol;1-(methylamino)propan-2-ol

C7H20N2O2 — CID 87558046

IUPAC1-aminopropan-1-ol;1-(methylamino)propan-2-ol
SMILESCCC(N)O.CNCC(C)O
InChIInChI=1S/C4H11NO.C3H9NO/c1-4(6)3-5-2;1-2-3(4)5/h4-6H,3H2,1-2H3;3,5H,2,4H2,1H3
InChIKeyNHTQDCJCSKZZPQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP-0.74
Rot. Bonds3

About 1-aminopropan-1-ol;1-(methylamino)propan-2-ol

1-aminopropan-1-ol;1-(methylamino)propan-2-ol (PubChem CID 87558046) has the molecular formula C7H20N2O2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-aminopropan-1-ol;1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-aminopropan-1-ol;1-(methylamino)propan-2-ol
PubChem CID87558046
Molecular FormulaC7H20N2O2
Molecular Weight164.25 g/mol
Exact Mass164.15
IUPAC Name1-aminopropan-1-ol;1-(methylamino)propan-2-ol
SMILESCCC(N)O.CNCC(C)O
InChIInChI=1S/C4H11NO.C3H9NO/c1-4(6)3-5-2;1-2-3(4)5/h4-6H,3H2,1-2H3;3,5H,2,4H2,1H3
InChIKeyNHTQDCJCSKZZPQ-UHFFFAOYSA-N
XLogP-0.74
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminopropan-1-ol;1-(methylamino)propan-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

butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215
1-aminopropan-1-ol;hydrochloride
CID 18547293
1-(methylamino)propan-2-ol;methyl hydrogen sulfate
CID 175742512
1-(methylamino)butan-2-ol;hydrate
CID 173049330
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
CID 134215870
CID 159971751
CID 159971751
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104696
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
O-[1-(methylamino)butan-2-yl]hydroxylamine
CID 118650526
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;1-(methylamino)propan-2-ol?
The IUPAC name of 1-aminopropan-1-ol;1-(methylamino)propan-2-ol (CID 87558046) is 1-aminopropan-1-ol;1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-aminopropan-1-ol;1-(methylamino)propan-2-ol?
The canonical SMILES for 1-aminopropan-1-ol;1-(methylamino)propan-2-ol is CCC(N)O.CNCC(C)O.
What is the InChIKey of 1-aminopropan-1-ol;1-(methylamino)propan-2-ol?
The InChIKey is NHTQDCJCSKZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H9NO/c1-4(6)3-5-2;1-2-3(4)5/h4-6H,3H2,1-2H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-1-ol;1-(methylamino)propan-2-ol?
1-aminopropan-1-ol;1-(methylamino)propan-2-ol has a molecular weight of 164.25 g/mol, XLogP of -0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;1-(methylamino)propan-2-ol is sourced from PubChem (CID 87558046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).