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

C7H17NO — CID 65239734

IUPAC3-amino-3,4-dimethylpentan-1-ol
SMILESCC(C)C(C)(N)CCO
InChIInChI=1S/C7H17NO/c1-6(2)7(3,8)4-5-9/h6,9H,4-5,8H2,1-3H3
InChIKeyGVHJMGYIHVKAKN-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

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

3-amino-3,4-dimethylpentan-1-ol (PubChem CID 65239734) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-amino-3,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-3,4-dimethylpentan-1-ol
PubChem CID65239734
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-amino-3,4-dimethylpentan-1-ol
SMILESCC(C)C(C)(N)CCO
InChIInChI=1S/C7H17NO/c1-6(2)7(3,8)4-5-9/h6,9H,4-5,8H2,1-3H3
InChIKeyGVHJMGYIHVKAKN-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

3-Amino-3-ethylpentan-1-ol
CID 16205007
2-Amino-2,4-dimethylpentan-1-ol
CID 22096701
3-Amino-3-methylpentan-1-ol
CID 20376797
2-Diisopropylethanol amine
CID 20394694
(S)-2-Amino-2,4-dimethylpentan-1-ol
CID 22940583
(3R)-3-amino-3-methylpentan-1-ol
CID 46840162
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutan-1-ol
CID 125427371
(2R)-2-amino-2-(2-fluoroethyl)-3-methylbutan-1-ol
CID 125427372
2-Amino-2-(2-fluoroethyl)-3-methylbutan-1-ol
CID 137702064
3-Amino-2,3-dimethylbutan-1-OL
CID 17989321
1-Pentanol, 4-amino-3,4-dimethyl-
CID 53768048
4-Amino-3,4-dimethylpentan-2-ol
CID 54257574

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-3,4-dimethylpentan-1-ol (CID 65239734) is 3-amino-3,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-3,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-3,4-dimethylpentan-1-ol is CC(C)C(C)(N)CCO.
What is the InChIKey of 3-amino-3,4-dimethylpentan-1-ol?
The InChIKey is GVHJMGYIHVKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)7(3,8)4-5-9/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 3-amino-3,4-dimethylpentan-1-ol?
3-amino-3,4-dimethylpentan-1-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 3-amino-3,4-dimethylpentan-1-ol is sourced from PubChem (CID 65239734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).