(2R,3S)-5-amino-2,3-dimethylpentan-1-ol

C7H17NO — CID 174320236

IUPAC(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
SMILESC[C@@H](CO)[C@@H](C)CCN
InChIInChI=1S/C7H17NO/c1-6(3-4-8)7(2)5-9/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKeyJRFWQJSCDKVWSP-BQBZGAKWSA-N
MW131.22 g/mol
LogP0.60
Rot. Bonds4

About (2R,3S)-5-amino-2,3-dimethylpentan-1-ol

(2R,3S)-5-amino-2,3-dimethylpentan-1-ol (PubChem CID 174320236) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R,3S)-5-amino-2,3-dimethylpentan-1-ol.

Molecular Properties

Compound Name(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
PubChem CID174320236
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
SMILESC[C@@H](CO)[C@@H](C)CCN
InChIInChI=1S/C7H17NO/c1-6(3-4-8)7(2)5-9/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKeyJRFWQJSCDKVWSP-BQBZGAKWSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyldecane-1,10-diamine
CID 118234620
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
4-chloro-3-methylpentan-1-amine
CID 90302099
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
1,4-diamino-2-methylbutane-1-sulfonic acid
CID 158087776
(Z)-4,7-diamino-5-methylhept-2-ene-3-thiol
CID 89154085
4-aminobutane-1,2-diol;ethane;terbium
CID 153386909
(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol
CID 88583257
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
4-ethyl-3-methylheptan-1-amine
CID 143231179
sodium;1,4-diamino-2-methylbutane-1-sulfonic acid;hydride
CID 174769406

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-amino-2,3-dimethylpentan-1-ol?
The IUPAC name of (2R,3S)-5-amino-2,3-dimethylpentan-1-ol (CID 174320236) is (2R,3S)-5-amino-2,3-dimethylpentan-1-ol.
What is the SMILES notation for (2R,3S)-5-amino-2,3-dimethylpentan-1-ol?
The canonical SMILES for (2R,3S)-5-amino-2,3-dimethylpentan-1-ol is C[C@@H](CO)[C@@H](C)CCN.
What is the InChIKey of (2R,3S)-5-amino-2,3-dimethylpentan-1-ol?
The InChIKey is JRFWQJSCDKVWSP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(3-4-8)7(2)5-9/h6-7,9H,3-5,8H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-5-amino-2,3-dimethylpentan-1-ol?
(2R,3S)-5-amino-2,3-dimethylpentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-amino-2,3-dimethylpentan-1-ol is sourced from PubChem (CID 174320236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).