2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol

C13H28N2O — CID 88885841

IUPAC2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol
SMILESC=CCCCN(CCCC)CC(O)N(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-11-15(10-8-6-2)12-13(16)14(3)4/h5,13,16H,1,6-12H2,2-4H3
InChIKeyOFTXYHQSDIZUMC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.93
Rot. Bonds10

About 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol

2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol (PubChem CID 88885841) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol
PubChem CID88885841
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol
SMILESC=CCCCN(CCCC)CC(O)N(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-11-15(10-8-6-2)12-13(16)14(3)4/h5,13,16H,1,6-12H2,2-4H3
InChIKeyOFTXYHQSDIZUMC-UHFFFAOYSA-N
XLogP1.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)hex-5-en-1-ol
CID 145136938
N,N-dibutylhept-6-en-1-amine
CID 126749828
N-ethyl-N-pent-4-enylpentan-1-amine
CID 154960176
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
N,N-dibutylocta-2,7-dien-1-amine
CID 5043810
N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine
CID 142769563
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
hex-1-ene;zinc
CID 174554611
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
CID 90250583
2-(dioctylamino)ethane-1,1-diol
CID 87744502

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol?
The IUPAC name of 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol (CID 88885841) is 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol.
What is the SMILES notation for 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol?
The canonical SMILES for 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol is C=CCCCN(CCCC)CC(O)N(C)C.
What is the InChIKey of 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol?
The InChIKey is OFTXYHQSDIZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-9-11-15(10-8-6-2)12-13(16)14(3)4/h5,13,16H,1,6-12H2,2-4H3.
What are the key properties of 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol?
2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol is sourced from PubChem (CID 88885841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).