(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol

C10H24N2O — CID 106932045

IUPAC(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
SMILESCCN(CC)CC(C)NC[C@H](C)O
InChIInChI=1S/C10H24N2O/c1-5-12(6-2)8-9(3)11-7-10(4)13/h9-11,13H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyWCFMVLPXCZXSPI-AXDSSHIGSA-N
MW188.31 g/mol
LogP0.69
Rot. Bonds7

About (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol

(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol (PubChem CID 106932045) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
PubChem CID106932045
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
SMILESCCN(CC)CC(C)NC[C@H](C)O
InChIInChI=1S/C10H24N2O/c1-5-12(6-2)8-9(3)11-7-10(4)13/h9-11,13H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyWCFMVLPXCZXSPI-AXDSSHIGSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921
1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
CID 106547113
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
1-(dichloromethylamino)propan-2-ol
CID 57172655
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367206
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369820
1-[[1-(diethylamino)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65211000

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol (CID 106932045) is (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol is CCN(CC)CC(C)NC[C@H](C)O.
What is the InChIKey of (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol?
The InChIKey is WCFMVLPXCZXSPI-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-12(6-2)8-9(3)11-7-10(4)13/h9-11,13H,5-8H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol?
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 106932045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).