2-(dibutylamino)prop-2-enal

C11H21NO — CID 141406939

IUPAC2-(dibutylamino)prop-2-enal
SMILESC=C(C=O)N(CCCC)CCCC
InChIInChI=1S/C11H21NO/c1-4-6-8-12(9-7-5-2)11(3)10-13/h10H,3-9H2,1-2H3
InChIKeyRLJJOBYPNQCFFN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds8

About 2-(dibutylamino)prop-2-enal

2-(dibutylamino)prop-2-enal (PubChem CID 141406939) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(dibutylamino)prop-2-enal.

Molecular Properties

Compound Name2-(dibutylamino)prop-2-enal
PubChem CID141406939
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(dibutylamino)prop-2-enal
SMILESC=C(C=O)N(CCCC)CCCC
InChIInChI=1S/C11H21NO/c1-4-6-8-12(9-7-5-2)11(3)10-13/h10H,3-9H2,1-2H3
InChIKeyRLJJOBYPNQCFFN-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)prop-2-enal?
The IUPAC name of 2-(dibutylamino)prop-2-enal (CID 141406939) is 2-(dibutylamino)prop-2-enal.
What is the SMILES notation for 2-(dibutylamino)prop-2-enal?
The canonical SMILES for 2-(dibutylamino)prop-2-enal is C=C(C=O)N(CCCC)CCCC.
What is the InChIKey of 2-(dibutylamino)prop-2-enal?
The InChIKey is RLJJOBYPNQCFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-8-12(9-7-5-2)11(3)10-13/h10H,3-9H2,1-2H3.
What are the key properties of 2-(dibutylamino)prop-2-enal?
2-(dibutylamino)prop-2-enal has a molecular weight of 183.29 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)prop-2-enal is sourced from PubChem (CID 141406939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).