(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol

C10H23NO — CID 87543185

IUPAC(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)N(CC)CC
InChIInChI=1S/C10H23NO/c1-5-9(4)10(8-12)11(6-2)7-3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyZTPKMIWHYJGYNY-VHSXEESVSA-N
MW173.30 g/mol
LogP1.74
Rot. Bonds6

About (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol

(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol (PubChem CID 87543185) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol
PubChem CID87543185
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)N(CC)CC
InChIInChI=1S/C10H23NO/c1-5-9(4)10(8-12)11(6-2)7-3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyZTPKMIWHYJGYNY-VHSXEESVSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol?
The IUPAC name of (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol (CID 87543185) is (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol?
The canonical SMILES for (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol is CC[C@H](C)[C@@H](CO)N(CC)CC.
What is the InChIKey of (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol?
The InChIKey is ZTPKMIWHYJGYNY-VHSXEESVSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(4)10(8-12)11(6-2)7-3/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol?
(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(diethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 87543185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).