3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol

C12H28N2O — CID 114356500

IUPAC3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-8-14(5)10(9-15)11(13)12(2,3)4/h10-11,15H,6-9,13H2,1-5H3
InChIKeyLJUVZFUDOFUYKY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.45
Rot. Bonds6

About 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol

3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114356500) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114356500
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-8-14(5)10(9-15)11(13)12(2,3)4/h10-11,15H,6-9,13H2,1-5H3
InChIKeyLJUVZFUDOFUYKY-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-[butyl(methyl)amino]-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-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743
(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol
CID 137483960
3-amino-4,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-1-ol
CID 114356461
3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
CID 102992599
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760
3-amino-2-[cyclopropylmethyl(ethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357327

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol (CID 114356500) is 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol is CCCCN(C)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is LJUVZFUDOFUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-7-8-14(5)10(9-15)11(13)12(2,3)4/h10-11,15H,6-9,13H2,1-5H3.
What are the key properties of 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol?
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114356500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).