2-amino-3-(2,2-dimethylbutylamino)propan-1-ol

C9H22N2O — CID 115121008

IUPAC2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
SMILESCCC(C)(C)CNCC(N)CO
InChIInChI=1S/C9H22N2O/c1-4-9(2,3)7-11-5-8(10)6-12/h8,11-12H,4-7,10H2,1-3H3
InChIKeyMJMHAGYLRRDBFJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.33
Rot. Bonds6

About 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol

2-amino-3-(2,2-dimethylbutylamino)propan-1-ol (PubChem CID 115121008) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
PubChem CID115121008
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
SMILESCCC(C)(C)CNCC(N)CO
InChIInChI=1S/C9H22N2O/c1-4-9(2,3)7-11-5-8(10)6-12/h8,11-12H,4-7,10H2,1-3H3
InChIKeyMJMHAGYLRRDBFJ-UHFFFAOYSA-N
XLogP0.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2,2-dimethylbutylamino)propan-1-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-(2,2-dimethylbutylamino)-2-methylpropanoic acid
CID 103461240
1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
CID 103462177
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
N-(bromomethyl)-2,2-dimethylbutan-1-amine
CID 115262494
N-(iodomethyl)-2,2-dimethylbutan-1-amine
CID 163962700
2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
CID 115120572
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol (CID 115121008) is 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol is CCC(C)(C)CNCC(N)CO.
What is the InChIKey of 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol?
The InChIKey is MJMHAGYLRRDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-9(2,3)7-11-5-8(10)6-12/h8,11-12H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol?
2-amino-3-(2,2-dimethylbutylamino)propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-dimethylbutylamino)propan-1-ol is sourced from PubChem (CID 115121008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).