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

C11H21NO — CID 173421767

IUPAC5-[bis(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(CC=C)CCCCCO
InChIInChI=1S/C11H21NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-4,13H,1-2,5-11H2
InChIKeyUZTOOJZTWKZKFW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.82
Rot. Bonds9

About 5-[bis(prop-2-enyl)amino]pentan-1-ol

5-[bis(prop-2-enyl)amino]pentan-1-ol (PubChem CID 173421767) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-[bis(prop-2-enyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[bis(prop-2-enyl)amino]pentan-1-ol
PubChem CID173421767
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-[bis(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(CC=C)CCCCCO
InChIInChI=1S/C11H21NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-4,13H,1-2,5-11H2
InChIKeyUZTOOJZTWKZKFW-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(prop-2-enyl)amino]pentan-1-ol?
The IUPAC name of 5-[bis(prop-2-enyl)amino]pentan-1-ol (CID 173421767) is 5-[bis(prop-2-enyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[bis(prop-2-enyl)amino]pentan-1-ol?
The canonical SMILES for 5-[bis(prop-2-enyl)amino]pentan-1-ol is C=CCN(CC=C)CCCCCO.
What is the InChIKey of 5-[bis(prop-2-enyl)amino]pentan-1-ol?
The InChIKey is UZTOOJZTWKZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-4,13H,1-2,5-11H2.
What are the key properties of 5-[bis(prop-2-enyl)amino]pentan-1-ol?
5-[bis(prop-2-enyl)amino]pentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-enyl)amino]pentan-1-ol is sourced from PubChem (CID 173421767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).