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

C10H19NO — CID 54523860

IUPAC2-[bis(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CC=C)C(CC)CO
InChIInChI=1S/C10H19NO/c1-4-7-11(8-5-2)10(6-3)9-12/h4-5,10,12H,1-2,6-9H2,3H3
InChIKeyYRSQEFSTLOWTOK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.43
Rot. Bonds7

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

2-[bis(prop-2-enyl)amino]butan-1-ol (PubChem CID 54523860) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]butan-1-ol
PubChem CID54523860
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[bis(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CC=C)C(CC)CO
InChIInChI=1S/C10H19NO/c1-4-7-11(8-5-2)10(6-3)9-12/h4-5,10,12H,1-2,6-9H2,3H3
InChIKeyYRSQEFSTLOWTOK-UHFFFAOYSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]butan-1-ol?
The IUPAC name of 2-[bis(prop-2-enyl)amino]butan-1-ol (CID 54523860) is 2-[bis(prop-2-enyl)amino]butan-1-ol.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]butan-1-ol?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]butan-1-ol is C=CCN(CC=C)C(CC)CO.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]butan-1-ol?
The InChIKey is YRSQEFSTLOWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-11(8-5-2)10(6-3)9-12/h4-5,10,12H,1-2,6-9H2,3H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]butan-1-ol?
2-[bis(prop-2-enyl)amino]butan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]butan-1-ol is sourced from PubChem (CID 54523860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).