(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol

C8H19NO — CID 174001748

IUPAC(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
SMILESCNCC(O)[C@@H](C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)7(3)8(10)5-9-4/h6-10H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyRFBINNDQIZOAEV-JAMMHHFISA-N
MW145.25 g/mol
LogP0.86
Rot. Bonds4

About (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol

(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol (PubChem CID 174001748) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
PubChem CID174001748
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
SMILESCNCC(O)[C@@H](C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)7(3)8(10)5-9-4/h6-10H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyRFBINNDQIZOAEV-JAMMHHFISA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
CID 159142928
(3R)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 59946423
(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 54087327
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104696
2,3,10-trimethylundecan-4-ol
CID 156689827
butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol?
The IUPAC name of (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol (CID 174001748) is (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol.
What is the SMILES notation for (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol?
The canonical SMILES for (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol is CNCC(O)[C@@H](C)C(C)C.
What is the InChIKey of (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol?
The InChIKey is RFBINNDQIZOAEV-JAMMHHFISA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)7(3)8(10)5-9-4/h6-10H,5H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol?
(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol is sourced from PubChem (CID 174001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).