1-amino-2,3-dimethylpentan-2-ol

C7H17NO — CID 54592931

IUPAC1-amino-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CN
InChIInChI=1S/C7H17NO/c1-4-6(2)7(3,9)5-8/h6,9H,4-5,8H2,1-3H3
InChIKeyNPBLCQCTOVOHME-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About 1-amino-2,3-dimethylpentan-2-ol

1-amino-2,3-dimethylpentan-2-ol (PubChem CID 54592931) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-amino-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-amino-2,3-dimethylpentan-2-ol
PubChem CID54592931
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-amino-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CN
InChIInChI=1S/C7H17NO/c1-4-6(2)7(3,9)5-8/h6,9H,4-5,8H2,1-3H3
InChIKeyNPBLCQCTOVOHME-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-2-cyclobutylpropan-2-ol hydrochloride
CID 21109690
1-Amino-2-cyclopropylpropan-2-ol
CID 21109692
3-(Aminomethyl)-2,2,4,4-tetramethylpentan-3-ol
CID 58680714
1-Amino-2-methylpentan-2-ol
CID 249728
1-Amino-2,4-dimethylpentan-2-ol
CID 43436646
1-Amino-2,5-dimethylhexan-2-ol
CID 43436655
1-Amino-2,3-dimethylpentan-2-ol hydrochloride
CID 165666109
Aminopropyl-methylmonoethanolamine
CID 87076393
1-Amino-2-cyclobutylpropan-2-ol
CID 21109691
(5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol
CID 155057078
(2R)-1-amino-2-cyclopropyl-propan-2-ol
CID 51684102
3-(Aminomethyl)-6,6,6-trifluoro-2-methylhexan-3-ol
CID 81874299

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-amino-2,3-dimethylpentan-2-ol (CID 54592931) is 1-amino-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-amino-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-amino-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)CN.
What is the InChIKey of 1-amino-2,3-dimethylpentan-2-ol?
The InChIKey is NPBLCQCTOVOHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6(2)7(3,9)5-8/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-2,3-dimethylpentan-2-ol?
1-amino-2,3-dimethylpentan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 54592931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).