1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol

C12H28N2O — CID 114496570

IUPAC1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN(C)CC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-10(2)12(5,15)9-14(6)8-11(3,4)7-13/h10,15H,7-9,13H2,1-6H3
InChIKeyQOHDOAIMDHRTOQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.31
Rot. Bonds6

About 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol

1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 114496570) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
PubChem CID114496570
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN(C)CC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-10(2)12(5,15)9-14(6)8-11(3,4)7-13/h10,15H,7-9,13H2,1-6H3
InChIKeyQOHDOAIMDHRTOQ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
CID 79652192
2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
CID 114447669
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
CID 114448878
ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
CID 114448917
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine
CID 106439495
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol (CID 114496570) is 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN(C)CC(C)(C)CN.
What is the InChIKey of 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is QOHDOAIMDHRTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)12(5,15)9-14(6)8-11(3,4)7-13/h10,15H,7-9,13H2,1-6H3.
What are the key properties of 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol?
1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).