2-[1-aminoethenyl(butyl)amino]ethanol

C8H18N2O — CID 166647301

IUPAC2-[1-aminoethenyl(butyl)amino]ethanol
SMILESC=C(N)N(CCO)CCCC
InChIInChI=1S/C8H18N2O/c1-3-4-5-10(6-7-11)8(2)9/h11H,2-7,9H2,1H3
InChIKeyAPUGIGISEQMFPS-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.51
Rot. Bonds6

About 2-[1-aminoethenyl(butyl)amino]ethanol

2-[1-aminoethenyl(butyl)amino]ethanol (PubChem CID 166647301) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[1-aminoethenyl(butyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminoethenyl(butyl)amino]ethanol
PubChem CID166647301
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[1-aminoethenyl(butyl)amino]ethanol
SMILESC=C(N)N(CCO)CCCC
InChIInChI=1S/C8H18N2O/c1-3-4-5-10(6-7-11)8(2)9/h11H,2-7,9H2,1H3
InChIKeyAPUGIGISEQMFPS-UHFFFAOYSA-N
XLogP0.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80589974
1,1-dibutylthiourea;zinc
CID 175070562
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 113307587
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminoethenyl(butyl)amino]ethanol?
The IUPAC name of 2-[1-aminoethenyl(butyl)amino]ethanol (CID 166647301) is 2-[1-aminoethenyl(butyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminoethenyl(butyl)amino]ethanol?
The canonical SMILES for 2-[1-aminoethenyl(butyl)amino]ethanol is C=C(N)N(CCO)CCCC.
What is the InChIKey of 2-[1-aminoethenyl(butyl)amino]ethanol?
The InChIKey is APUGIGISEQMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-10(6-7-11)8(2)9/h11H,2-7,9H2,1H3.
What are the key properties of 2-[1-aminoethenyl(butyl)amino]ethanol?
2-[1-aminoethenyl(butyl)amino]ethanol has a molecular weight of 158.24 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminoethenyl(butyl)amino]ethanol is sourced from PubChem (CID 166647301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).