3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol

C12H28N2O2 — CID 76891494

IUPAC3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
SMILESCCN(CC)CCCC(C)NCC(O)CO
InChIInChI=1S/C12H28N2O2/c1-4-14(5-2)8-6-7-11(3)13-9-12(16)10-15/h11-13,15-16H,4-10H2,1-3H3
InChIKeyYGFFNVGEZBDYIC-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.44
Rot. Bonds10

About 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol

3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol (PubChem CID 76891494) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
PubChem CID76891494
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
SMILESCCN(CC)CCCC(C)NCC(O)CO
InChIInChI=1S/C12H28N2O2/c1-4-14(5-2)8-6-7-11(3)13-9-12(16)10-15/h11-13,15-16H,4-10H2,1-3H3
InChIKeyYGFFNVGEZBDYIC-UHFFFAOYSA-N
XLogP0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
CID 63899623
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
6-(diethylamino)hexane-1,2-diol
CID 18995566
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
CID 64580859
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol (CID 76891494) is 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol is CCN(CC)CCCC(C)NCC(O)CO.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol?
The InChIKey is YGFFNVGEZBDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-14(5-2)8-6-7-11(3)13-9-12(16)10-15/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol?
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol has a molecular weight of 232.37 g/mol, XLogP of 0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol is sourced from PubChem (CID 76891494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).