1-amino-3-methylpentan-3-ol

C6H15NO — CID 54320456

IUPAC1-amino-3-methylpentan-3-ol
SMILESCCC(C)(O)CCN
InChIInChI=1S/C6H15NO/c1-3-6(2,8)4-5-7/h8H,3-5,7H2,1-2H3
InChIKeySRGNXDJXTPZYRH-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.50
Rot. Bonds3

About 1-amino-3-methylpentan-3-ol

1-amino-3-methylpentan-3-ol (PubChem CID 54320456) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-amino-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-3-methylpentan-3-ol
PubChem CID54320456
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-amino-3-methylpentan-3-ol
SMILESCCC(C)(O)CCN
InChIInChI=1S/C6H15NO/c1-3-6(2,8)4-5-7/h8H,3-5,7H2,1-2H3
InChIKeySRGNXDJXTPZYRH-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylpentan-3-ol?
The IUPAC name of 1-amino-3-methylpentan-3-ol (CID 54320456) is 1-amino-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-3-methylpentan-3-ol is CCC(C)(O)CCN.
What is the InChIKey of 1-amino-3-methylpentan-3-ol?
The InChIKey is SRGNXDJXTPZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-6(2,8)4-5-7/h8H,3-5,7H2,1-2H3.
What are the key properties of 1-amino-3-methylpentan-3-ol?
1-amino-3-methylpentan-3-ol has a molecular weight of 117.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylpentan-3-ol is sourced from PubChem (CID 54320456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).