(2S)-2-amino-4,4-dimethylpentan-1-ol

C7H17NO — CID 15281647

IUPAC(2S)-2-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C[C@H](N)CO
InChIInChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKeyOCJXWXGVDQCFJW-LURJTMIESA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds2

About (2S)-2-amino-4,4-dimethylpentan-1-ol

(2S)-2-amino-4,4-dimethylpentan-1-ol (PubChem CID 15281647) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-2-amino-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4,4-dimethylpentan-1-ol
PubChem CID15281647
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-2-amino-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C[C@H](N)CO
InChIInChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKeyOCJXWXGVDQCFJW-LURJTMIESA-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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Related Compounds

L-Leucinol
CID 111307
2-Amino-1-pentanol
CID 249017
D(-)-Leucinol
CID 2724002
2-Amino-3-methylpentan-1-ol
CID 91202
(2S)-2-Amino-3,3-dimethyl-1-butanol
CID 2734079
2-Amino-4-methylpentan-1-ol
CID 79030
5-Amino-2,2-dimethylpentanol
CID 139489
2-Amino-3,3-dimethylbutan-1-ol
CID 4149212
(2R)-2-aminopentan-1-ol
CID 5324727
(2S,3S)-2-Amino-3-methyl-1-pentanol
CID 2724027
(2R)-2-Amino-3,3-dimethylbutan-1-ol
CID 6932847
(2S)-2-aminopentan-1-ol
CID 6951248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-dimethylpentan-1-ol?
The IUPAC name of (2S)-2-amino-4,4-dimethylpentan-1-ol (CID 15281647) is (2S)-2-amino-4,4-dimethylpentan-1-ol.
What is the SMILES notation for (2S)-2-amino-4,4-dimethylpentan-1-ol?
The canonical SMILES for (2S)-2-amino-4,4-dimethylpentan-1-ol is CC(C)(C)C[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-4,4-dimethylpentan-1-ol?
The InChIKey is OCJXWXGVDQCFJW-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4,4-dimethylpentan-1-ol?
(2S)-2-amino-4,4-dimethylpentan-1-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 (2S)-2-amino-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 15281647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).