(4S)-5-amino-2,4-dimethylpentan-2-ol

C7H17NO — CID 97010229

IUPAC(4S)-5-amino-2,4-dimethylpentan-2-ol
SMILESC[C@H](CN)CC(C)(C)O
InChIInChI=1S/C7H17NO/c1-6(5-8)4-7(2,3)9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKeyPXATWHDJWMPWGQ-LURJTMIESA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About (4S)-5-amino-2,4-dimethylpentan-2-ol

(4S)-5-amino-2,4-dimethylpentan-2-ol (PubChem CID 97010229) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (4S)-5-amino-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(4S)-5-amino-2,4-dimethylpentan-2-ol
PubChem CID97010229
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(4S)-5-amino-2,4-dimethylpentan-2-ol
SMILESC[C@H](CN)CC(C)(C)O
InChIInChI=1S/C7H17NO/c1-6(5-8)4-7(2,3)9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKeyPXATWHDJWMPWGQ-LURJTMIESA-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

5-amino-2,4-dimethylpentan-2-ol
CID 83681746
2,4-dimethylheptane-2,6-diol
CID 53400290
2-methylpentane-2,4-diol
CID 7870
1-aminopropan-2-yl 2,4-dihydroxy-4-methylpentanoate
CID 123339844
4-hydroxy-2,4-dimethylpentanamide
CID 89306477
1-amino-3-methylbutane-1,3-diol;hydrochloride
CID 140998163
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane
CID 91386742
ethyl 5-amino-2,2,4-trimethylpentanoate
CID 123521553
tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
CID 89058843
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
4-(2-hydroxypropan-2-yl)-2,6-dimethylheptane-2,6-diol
CID 87814111

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-2,4-dimethylpentan-2-ol?
The IUPAC name of (4S)-5-amino-2,4-dimethylpentan-2-ol (CID 97010229) is (4S)-5-amino-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (4S)-5-amino-2,4-dimethylpentan-2-ol?
The canonical SMILES for (4S)-5-amino-2,4-dimethylpentan-2-ol is C[C@H](CN)CC(C)(C)O.
What is the InChIKey of (4S)-5-amino-2,4-dimethylpentan-2-ol?
The InChIKey is PXATWHDJWMPWGQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO/c1-6(5-8)4-7(2,3)9/h6,9H,4-5,8H2,1-3H3/t6-/m0/s1.
What are the key properties of (4S)-5-amino-2,4-dimethylpentan-2-ol?
(4S)-5-amino-2,4-dimethylpentan-2-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 (4S)-5-amino-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 97010229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).