4-[but-3-enyl(methyl)amino]butan-2-ol

C9H19NO — CID 115665768

IUPAC4-[but-3-enyl(methyl)amino]butan-2-ol
SMILESC=CCCN(C)CCC(C)O
InChIInChI=1S/C9H19NO/c1-4-5-7-10(3)8-6-9(2)11/h4,9,11H,1,5-8H2,2-3H3
InChIKeyWYGIAQNTMMAGEV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds6

About 4-[but-3-enyl(methyl)amino]butan-2-ol

4-[but-3-enyl(methyl)amino]butan-2-ol (PubChem CID 115665768) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[but-3-enyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[but-3-enyl(methyl)amino]butan-2-ol
PubChem CID115665768
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-[but-3-enyl(methyl)amino]butan-2-ol
SMILESC=CCCN(C)CCC(C)O
InChIInChI=1S/C9H19NO/c1-4-5-7-10(3)8-6-9(2)11/h4,9,11H,1,5-8H2,2-3H3
InChIKeyWYGIAQNTMMAGEV-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142953317
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
CID 115873167
N-(2-bromoprop-2-enyl)-N-methylbut-3-en-1-amine
CID 13113540
4-[but-2-ynyl(methyl)amino]butan-2-ol
CID 115665847
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
1-(dimethylamino)hex-5-en-1-ol
CID 145136938
2-(dimethylamino)hex-5-en-1-ol
CID 131050501
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670

Frequently Asked Questions

What is the IUPAC name of 4-[but-3-enyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[but-3-enyl(methyl)amino]butan-2-ol (CID 115665768) is 4-[but-3-enyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[but-3-enyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[but-3-enyl(methyl)amino]butan-2-ol is C=CCCN(C)CCC(C)O.
What is the InChIKey of 4-[but-3-enyl(methyl)amino]butan-2-ol?
The InChIKey is WYGIAQNTMMAGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-7-10(3)8-6-9(2)11/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 4-[but-3-enyl(methyl)amino]butan-2-ol?
4-[but-3-enyl(methyl)amino]butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[but-3-enyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 115665768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).