(2R,3R)-2-(diethylamino)pentan-3-ol

C9H21NO — CID 131860305

IUPAC(2R,3R)-2-(diethylamino)pentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)N(CC)CC
InChIInChI=1S/C9H21NO/c1-5-9(11)8(4)10(6-2)7-3/h8-9,11H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyZKTPPERJFMBQCX-RKDXNWHRSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

About (2R,3R)-2-(diethylamino)pentan-3-ol

(2R,3R)-2-(diethylamino)pentan-3-ol (PubChem CID 131860305) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2R,3R)-2-(diethylamino)pentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(diethylamino)pentan-3-ol
PubChem CID131860305
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2R,3R)-2-(diethylamino)pentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)N(CC)CC
InChIInChI=1S/C9H21NO/c1-5-9(11)8(4)10(6-2)7-3/h8-9,11H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyZKTPPERJFMBQCX-RKDXNWHRSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(diethylamino)pentan-3-ol?
The IUPAC name of (2R,3R)-2-(diethylamino)pentan-3-ol (CID 131860305) is (2R,3R)-2-(diethylamino)pentan-3-ol.
What is the SMILES notation for (2R,3R)-2-(diethylamino)pentan-3-ol?
The canonical SMILES for (2R,3R)-2-(diethylamino)pentan-3-ol is CC[C@@H](O)[C@@H](C)N(CC)CC.
What is the InChIKey of (2R,3R)-2-(diethylamino)pentan-3-ol?
The InChIKey is ZKTPPERJFMBQCX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(11)8(4)10(6-2)7-3/h8-9,11H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(diethylamino)pentan-3-ol?
(2R,3R)-2-(diethylamino)pentan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(diethylamino)pentan-3-ol is sourced from PubChem (CID 131860305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).