1-amino-4,4-dimethylpentan-3-ol

C7H17NO — CID 55283756

IUPAC1-amino-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN
InChIInChI=1S/C7H17NO/c1-7(2,3)6(9)4-5-8/h6,9H,4-5,8H2,1-3H3
InChIKeyIUKICUAZNUHIDR-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds2

About 1-amino-4,4-dimethylpentan-3-ol

1-amino-4,4-dimethylpentan-3-ol (PubChem CID 55283756) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-amino-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethylpentan-3-ol
PubChem CID55283756
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-amino-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN
InChIInChI=1S/C7H17NO/c1-7(2,3)6(9)4-5-8/h6,9H,4-5,8H2,1-3H3
InChIKeyIUKICUAZNUHIDR-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-amino-4,4-dimethylpentan-3-ol (CID 55283756) is 1-amino-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCN.
What is the InChIKey of 1-amino-4,4-dimethylpentan-3-ol?
The InChIKey is IUKICUAZNUHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)6(9)4-5-8/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethylpentan-3-ol?
1-amino-4,4-dimethylpentan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 55283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).