1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol

C12H28N2O — CID 64820668

IUPAC1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
SMILESCCC(C)CN(C)C(C)CC(C)(O)CN
InChIInChI=1S/C12H28N2O/c1-6-10(2)8-14(5)11(3)7-12(4,15)9-13/h10-11,15H,6-9,13H2,1-5H3
InChIKeyUKOVNKKURQLARU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.45
Rot. Bonds7

About 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol

1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol (PubChem CID 64820668) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
PubChem CID64820668
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
SMILESCCC(C)CN(C)C(C)CC(C)(O)CN
InChIInChI=1S/C12H28N2O/c1-6-10(2)8-14(5)11(3)7-12(4,15)9-13/h10-11,15H,6-9,13H2,1-5H3
InChIKeyUKOVNKKURQLARU-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-amino-4-[ethyl(2-methylbutyl)amino]-2-methylpentan-2-ol
CID 79470824
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212
1-amino-4-[cyclopropylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64820897
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
1-amino-4-(dipropylamino)-2-methylpentan-2-ol
CID 64819639
2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
CID 64711907
1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
CID 64821335
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
1-amino-2-methyl-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 64819539
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol (CID 64820668) is 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol is CCC(C)CN(C)C(C)CC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol?
The InChIKey is UKOVNKKURQLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-10(2)8-14(5)11(3)7-12(4,15)9-13/h10-11,15H,6-9,13H2,1-5H3.
What are the key properties of 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol?
1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol is sourced from PubChem (CID 64820668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).