1-[(3-amino-2-methylpropyl)amino]propan-2-ol

C7H18N2O — CID 130604418

IUPAC1-[(3-amino-2-methylpropyl)amino]propan-2-ol
SMILESCC(O)CNCC(C)CN
InChIInChI=1S/C7H18N2O/c1-6(3-8)4-9-5-7(2)10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWYFBFAYGTKMNRO-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.45
Rot. Bonds5

About 1-[(3-amino-2-methylpropyl)amino]propan-2-ol

1-[(3-amino-2-methylpropyl)amino]propan-2-ol (PubChem CID 130604418) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[(3-amino-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-2-methylpropyl)amino]propan-2-ol
PubChem CID130604418
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-[(3-amino-2-methylpropyl)amino]propan-2-ol
SMILESCC(O)CNCC(C)CN
InChIInChI=1S/C7H18N2O/c1-6(3-8)4-9-5-7(2)10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWYFBFAYGTKMNRO-UHFFFAOYSA-N
XLogP-0.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3-amino-2-methylpropyl)amino]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

1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(2,8-dimethylnonylamino)propan-2-ol
CID 21150228
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
1-(hydroxymethylamino)propan-2-ol
CID 3018672
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
3-(2-hydroxypropylamino)-2-methylpropanamide
CID 43499862
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-amino-2-methylpropyl)amino]propan-2-ol (CID 130604418) is 1-[(3-amino-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-2-methylpropyl)amino]propan-2-ol is CC(O)CNCC(C)CN.
What is the InChIKey of 1-[(3-amino-2-methylpropyl)amino]propan-2-ol?
The InChIKey is WYFBFAYGTKMNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(3-8)4-9-5-7(2)10/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-[(3-amino-2-methylpropyl)amino]propan-2-ol?
1-[(3-amino-2-methylpropyl)amino]propan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 130604418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).