(E)-2-(dibutylamino)but-2-enal

C12H23NO — CID 14384943

IUPAC(E)-2-(dibutylamino)but-2-enal
SMILESC/C=C(\C=O)N(CCCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h6,11H,4-5,7-10H2,1-3H3/b12-6+
InChIKeyZCQDUVLAMLJDGV-WUXMJOGZSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds8

About (E)-2-(dibutylamino)but-2-enal

(E)-2-(dibutylamino)but-2-enal (PubChem CID 14384943) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-2-(dibutylamino)but-2-enal.

Molecular Properties

Compound Name(E)-2-(dibutylamino)but-2-enal
PubChem CID14384943
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-2-(dibutylamino)but-2-enal
SMILESC/C=C(\C=O)N(CCCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h6,11H,4-5,7-10H2,1-3H3/b12-6+
InChIKeyZCQDUVLAMLJDGV-WUXMJOGZSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
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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Related Compounds

(E)-2-piperidin-1-ylbut-2-enal
CID 6504395
(E)-alpha-Ethylidenepiperidine-1-acetaldehyde
CID 103701
alpha-Piperidinocrotonaldehyde
CID 11126467
3-(Diethylamino)but-2-enal
CID 71371647
2-Diethylamino-2-butenal
CID 73308882
3-(Dibutylamino)-2-butenal
CID 86164692
(E)-2-(diethylamino)but-2-enal
CID 12773254
(E)-3-(diethylamino)but-2-enal
CID 12387493
3-(Dipropylamino)but-2-enal
CID 54308364
1-propyl-2H-pyridine-6-carbaldehyde
CID 88210776
(Z)-3-(dipropylamino)but-2-enal
CID 88358528
2-(Azepan-1-yl)but-2-enal
CID 88912185

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dibutylamino)but-2-enal?
The IUPAC name of (E)-2-(dibutylamino)but-2-enal (CID 14384943) is (E)-2-(dibutylamino)but-2-enal.
What is the SMILES notation for (E)-2-(dibutylamino)but-2-enal?
The canonical SMILES for (E)-2-(dibutylamino)but-2-enal is C/C=C(\C=O)N(CCCC)CCCC.
What is the InChIKey of (E)-2-(dibutylamino)but-2-enal?
The InChIKey is ZCQDUVLAMLJDGV-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-9-13(10-8-5-2)12(6-3)11-14/h6,11H,4-5,7-10H2,1-3H3/b12-6+.
What are the key properties of (E)-2-(dibutylamino)but-2-enal?
(E)-2-(dibutylamino)but-2-enal has a molecular weight of 197.32 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dibutylamino)but-2-enal is sourced from PubChem (CID 14384943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).