1-amino-3,3-dimethylpentane-2,2-diol

C7H17NO2 — CID 87668093

IUPAC1-amino-3,3-dimethylpentane-2,2-diol
SMILESCCC(C)(C)C(O)(O)CN
InChIInChI=1S/C7H17NO2/c1-4-6(2,3)7(9,10)5-8/h9-10H,4-5,8H2,1-3H3
InChIKeyCFYZKNCENWYHOQ-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.06
Rot. Bonds3

About 1-amino-3,3-dimethylpentane-2,2-diol

1-amino-3,3-dimethylpentane-2,2-diol (PubChem CID 87668093) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-amino-3,3-dimethylpentane-2,2-diol.

Molecular Properties

Compound Name1-amino-3,3-dimethylpentane-2,2-diol
PubChem CID87668093
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-amino-3,3-dimethylpentane-2,2-diol
SMILESCCC(C)(C)C(O)(O)CN
InChIInChI=1S/C7H17NO2/c1-4-6(2,3)7(9,10)5-8/h9-10H,4-5,8H2,1-3H3
InChIKeyCFYZKNCENWYHOQ-UHFFFAOYSA-N
XLogP0.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174452553
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
1-aminobutane-2,2-diol
CID 158169246
methanamine;2-methylbutan-2-ol
CID 142079467
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
1-amino-2-methylpropan-2-ol;ethanol;tantalum
CID 174826952
1,1,2-triaminoethanol
CID 22345065
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethylpentane-2,2-diol?
The IUPAC name of 1-amino-3,3-dimethylpentane-2,2-diol (CID 87668093) is 1-amino-3,3-dimethylpentane-2,2-diol.
What is the SMILES notation for 1-amino-3,3-dimethylpentane-2,2-diol?
The canonical SMILES for 1-amino-3,3-dimethylpentane-2,2-diol is CCC(C)(C)C(O)(O)CN.
What is the InChIKey of 1-amino-3,3-dimethylpentane-2,2-diol?
The InChIKey is CFYZKNCENWYHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-6(2,3)7(9,10)5-8/h9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethylpentane-2,2-diol?
1-amino-3,3-dimethylpentane-2,2-diol has a molecular weight of 147.22 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethylpentane-2,2-diol is sourced from PubChem (CID 87668093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).