3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol

C11H25NO2 — CID 106349643

IUPAC3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCCCCO
InChIInChI=1S/C11H25NO2/c1-11(2,3)10(6-9-14)12-7-4-5-8-13/h10,12-14H,4-9H2,1-3H3
InChIKeyWHBCZJAOMLAVNF-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds7

About 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol

3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106349643) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
PubChem CID106349643
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCCCCO
InChIInChI=1S/C11H25NO2/c1-11(2,3)10(6-9-14)12-7-4-5-8-13/h10,12-14H,4-9H2,1-3H3
InChIKeyWHBCZJAOMLAVNF-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-hydroxybutylamino)-4,4-dimethylpentan-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-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470442
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
CID 113434725
4-(propan-2-ylamino)butan-1-ol
CID 12950986
1-chloro-N-hexyl-4,4-dimethylpentan-3-amine
CID 106353980
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
CID 134403228
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol (CID 106349643) is 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCCCCO.
What is the InChIKey of 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is WHBCZJAOMLAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-11(2,3)10(6-9-14)12-7-4-5-8-13/h10,12-14H,4-9H2,1-3H3.
What are the key properties of 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).