5-amino-4,4-dimethylpentan-1-ol

C7H17NO — CID 23501680

IUPAC5-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(CN)CCCO
InChIInChI=1S/C7H17NO/c1-7(2,6-8)4-3-5-9/h9H,3-6,8H2,1-2H3
InChIKeyFMBDDEJFIJTHHM-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About 5-amino-4,4-dimethylpentan-1-ol

5-amino-4,4-dimethylpentan-1-ol (PubChem CID 23501680) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 5-amino-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-amino-4,4-dimethylpentan-1-ol
PubChem CID23501680
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name5-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(CN)CCCO
InChIInChI=1S/C7H17NO/c1-7(2,6-8)4-3-5-9/h9H,3-6,8H2,1-2H3
InChIKeyFMBDDEJFIJTHHM-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 5-amino-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-amino-4,4-dimethylpentan-1-ol (CID 23501680) is 5-amino-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-amino-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-amino-4,4-dimethylpentan-1-ol is CC(C)(CN)CCCO.
What is the InChIKey of 5-amino-4,4-dimethylpentan-1-ol?
The InChIKey is FMBDDEJFIJTHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,6-8)4-3-5-9/h9H,3-6,8H2,1-2H3.
What are the key properties of 5-amino-4,4-dimethylpentan-1-ol?
5-amino-4,4-dimethylpentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 23501680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).