3-(diethylamino)-4-(methylamino)butan-1-ol

C9H22N2O — CID 118105056

IUPAC3-(diethylamino)-4-(methylamino)butan-1-ol
SMILESCCN(CC)C(CCO)CNC
InChIInChI=1S/C9H22N2O/c1-4-11(5-2)9(6-7-12)8-10-3/h9-10,12H,4-8H2,1-3H3
InChIKeyPQWZQHIQPHUHJB-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.30
Rot. Bonds7

About 3-(diethylamino)-4-(methylamino)butan-1-ol

3-(diethylamino)-4-(methylamino)butan-1-ol (PubChem CID 118105056) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-(diethylamino)-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-4-(methylamino)butan-1-ol
PubChem CID118105056
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-(diethylamino)-4-(methylamino)butan-1-ol
SMILESCCN(CC)C(CCO)CNC
InChIInChI=1S/C9H22N2O/c1-4-11(5-2)9(6-7-12)8-10-3/h9-10,12H,4-8H2,1-3H3
InChIKeyPQWZQHIQPHUHJB-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(diethylamino)-4-(methylamino)butan-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

2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054074
3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
4-hydroxy-2-(methylaminomethyl)butanoic acid
CID 117236956
4-(diethylamino)pentan-1-ol
CID 87480053
3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414159
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
5-(methylamino)pentane-1,4-diol
CID 54247724
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-(methylamino)butan-1-ol?
The IUPAC name of 3-(diethylamino)-4-(methylamino)butan-1-ol (CID 118105056) is 3-(diethylamino)-4-(methylamino)butan-1-ol.
What is the SMILES notation for 3-(diethylamino)-4-(methylamino)butan-1-ol?
The canonical SMILES for 3-(diethylamino)-4-(methylamino)butan-1-ol is CCN(CC)C(CCO)CNC.
What is the InChIKey of 3-(diethylamino)-4-(methylamino)butan-1-ol?
The InChIKey is PQWZQHIQPHUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-11(5-2)9(6-7-12)8-10-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-(diethylamino)-4-(methylamino)butan-1-ol?
3-(diethylamino)-4-(methylamino)butan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-4-(methylamino)butan-1-ol is sourced from PubChem (CID 118105056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).