3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol

C9H22N2O — CID 104710820

IUPAC3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
SMILESCCCN(C(C)C)C(CN)CO
InChIInChI=1S/C9H22N2O/c1-4-5-11(8(2)3)9(6-10)7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOGQLIMKNYWTMGF-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.43
Rot. Bonds6

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

3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol (PubChem CID 104710820) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
PubChem CID104710820
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
SMILESCCCN(C(C)C)C(CN)CO
InChIInChI=1S/C9H22N2O/c1-4-5-11(8(2)3)9(6-10)7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOGQLIMKNYWTMGF-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-[propan-2-yl(propyl)amino]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-amino-2-[2-methylpropyl(propan-2-yl)amino]propan-1-ol
CID 104710922
4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62951717
4-ethylsulfanyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 116503968
3-amino-2-[propan-2-yl(propyl)amino]propanoic acid
CID 64695014
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
2-[aminomethyl(propan-2-yl)amino]propan-1-ol
CID 177367266
3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
CID 114356584
N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
CID 43269637
1-N-ethyl-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62421254
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
CID 151330879

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol (CID 104710820) is 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol is CCCN(C(C)C)C(CN)CO.
What is the InChIKey of 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol?
The InChIKey is OGQLIMKNYWTMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-5-11(8(2)3)9(6-10)7-12/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol?
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol is sourced from PubChem (CID 104710820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).