3-[3-(diethylamino)propyl-methylamino]propan-1-ol

C11H26N2O — CID 12721796

IUPAC3-[3-(diethylamino)propyl-methylamino]propan-1-ol
SMILESCCN(CC)CCCN(C)CCCO
InChIInChI=1S/C11H26N2O/c1-4-13(5-2)10-6-8-12(3)9-7-11-14/h14H,4-11H2,1-3H3
InChIKeyAYIRIQOAKWCWJF-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.03
Rot. Bonds9

About 3-[3-(diethylamino)propyl-methylamino]propan-1-ol

3-[3-(diethylamino)propyl-methylamino]propan-1-ol (PubChem CID 12721796) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-methylamino]propan-1-ol
PubChem CID12721796
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-[3-(diethylamino)propyl-methylamino]propan-1-ol
SMILESCCN(CC)CCCN(C)CCCO
InChIInChI=1S/C11H26N2O/c1-4-13(5-2)10-6-8-12(3)9-7-11-14/h14H,4-11H2,1-3H3
InChIKeyAYIRIQOAKWCWJF-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 162002225
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
3-[[2-hydroxyethyl(3-hydroxypropyl)amino]methyl-methylamino]propan-1-ol
CID 167646187
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826
N'-[3-[3-[butyl(ethyl)amino]propyl-ethylamino]propyl]-N,N'-dimethyl-N-[3-[methyl(octyl)amino]propyl]butane-1,4-diamine
CID 91145373
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-methylamino]propan-1-ol?
The IUPAC name of 3-[3-(diethylamino)propyl-methylamino]propan-1-ol (CID 12721796) is 3-[3-(diethylamino)propyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(diethylamino)propyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[3-(diethylamino)propyl-methylamino]propan-1-ol is CCN(CC)CCCN(C)CCCO.
What is the InChIKey of 3-[3-(diethylamino)propyl-methylamino]propan-1-ol?
The InChIKey is AYIRIQOAKWCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-13(5-2)10-6-8-12(3)9-7-11-14/h14H,4-11H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl-methylamino]propan-1-ol?
3-[3-(diethylamino)propyl-methylamino]propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-methylamino]propan-1-ol is sourced from PubChem (CID 12721796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).