2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

C9H22N2O — CID 64828182

IUPAC2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)CC(C)(C)C
InChIInChI=1S/C9H22N2O/c1-9(2,3)7-11(4)5-8(10)6-12/h8,12H,5-7,10H2,1-4H3
InChIKeyMRMRGKWJFMHTPC-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.28
Rot. Bonds4

About 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (PubChem CID 64828182) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
PubChem CID64828182
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CC(N)CO)CC(C)(C)C
InChIInChI=1S/C9H22N2O/c1-9(2,3)7-11(4)5-8(10)6-12/h8,12H,5-7,10H2,1-4H3
InChIKeyMRMRGKWJFMHTPC-UHFFFAOYSA-N
XLogP0.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
CID 64827973
3-[2,2-dimethylpropyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900832
1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 104752733
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
CID 65233192
2-amino-3-(diethylamino)propan-1-ol
CID 57209208
2-amino-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64790623
N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
CID 159238333
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
2-amino-6,6-dimethylheptan-1-ol
CID 88746496

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (CID 64828182) is 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is CN(CC(N)CO)CC(C)(C)C.
What is the InChIKey of 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The InChIKey is MRMRGKWJFMHTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(2,3)7-11(4)5-8(10)6-12/h8,12H,5-7,10H2,1-4H3.
What are the key properties of 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 64828182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).