1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol

C12H26N2O — CID 102996311

IUPAC1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
SMILESCCN(CCCN(C)C)CC(O)C1CC1
InChIInChI=1S/C12H26N2O/c1-4-14(9-5-8-13(2)3)10-12(15)11-6-7-11/h11-12,15H,4-10H2,1-3H3
InChIKeyKHVQXJWRAKDQPT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds8

About 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol

1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol (PubChem CID 102996311) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
PubChem CID102996311
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
SMILESCCN(CCCN(C)C)CC(O)C1CC1
InChIInChI=1S/C12H26N2O/c1-4-14(9-5-8-13(2)3)10-12(15)11-6-7-11/h11-12,15H,4-10H2,1-3H3
InChIKeyKHVQXJWRAKDQPT-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
2-[cyclobutylmethyl(ethyl)amino]-1-cyclohexylethanol
CID 107400916
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
CID 102992320
2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3-methylbutane-1-thiol
CID 102998690
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol (CID 102996311) is 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol is CCN(CCCN(C)C)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol?
The InChIKey is KHVQXJWRAKDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14(9-5-8-13(2)3)10-12(15)11-6-7-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol?
1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol is sourced from PubChem (CID 102996311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).