2-[bis(but-2-enyl)amino]butan-1-ol

C12H23NO — CID 139612160

IUPAC2-[bis(but-2-enyl)amino]butan-1-ol
SMILESCC=CCN(CC=CC)C(CC)CO
InChIInChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h4-5,7-8,12,14H,6,9-11H2,1-3H3
InChIKeyZWCRZBGEGQLABS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds7

About 2-[bis(but-2-enyl)amino]butan-1-ol

2-[bis(but-2-enyl)amino]butan-1-ol (PubChem CID 139612160) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[bis(but-2-enyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[bis(but-2-enyl)amino]butan-1-ol
PubChem CID139612160
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[bis(but-2-enyl)amino]butan-1-ol
SMILESCC=CCN(CC=CC)C(CC)CO
InChIInChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h4-5,7-8,12,14H,6,9-11H2,1-3H3
InChIKeyZWCRZBGEGQLABS-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
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

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CID 226116
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2-Hydroxyethyl-methyl-bis(prop-2-enyl)azanium
CID 13778202
[(E)-but-2-enyl]-(2-hydroxyethyl)-dimethylazanium bromide
CID 15029191
[(E)-but-2-enyl]-(2-hydroxyethyl)-dimethylazanium
CID 15029192
2-[Bis(prop-2-enyl)amino]propan-1-ol
CID 15147727
2-[Allyl(isopropyl)amino]ethanol
CID 15517841
2-[Bis(prop-2-enyl)amino]-2-ethylpropane-1,3-diol
CID 20603659
2-[Bis(prop-2-enyl)amino]propane-1,3-diol
CID 20603660
2-(2,5-Dihydropyrrol-1-yl)propan-1-ol
CID 20689470
Ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium
CID 21393129
2-[Bis(prop-2-enyl)amino]butan-1-ol
CID 54523860

Frequently Asked Questions

What is the IUPAC name of 2-[bis(but-2-enyl)amino]butan-1-ol?
The IUPAC name of 2-[bis(but-2-enyl)amino]butan-1-ol (CID 139612160) is 2-[bis(but-2-enyl)amino]butan-1-ol.
What is the SMILES notation for 2-[bis(but-2-enyl)amino]butan-1-ol?
The canonical SMILES for 2-[bis(but-2-enyl)amino]butan-1-ol is CC=CCN(CC=CC)C(CC)CO.
What is the InChIKey of 2-[bis(but-2-enyl)amino]butan-1-ol?
The InChIKey is ZWCRZBGEGQLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h4-5,7-8,12,14H,6,9-11H2,1-3H3.
What are the key properties of 2-[bis(but-2-enyl)amino]butan-1-ol?
2-[bis(but-2-enyl)amino]butan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(but-2-enyl)amino]butan-1-ol is sourced from PubChem (CID 139612160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).