(E)-3-(dioctylamino)prop-2-enal

C19H37NO — CID 134949607

IUPAC(E)-3-(dioctylamino)prop-2-enal
SMILESCCCCCCCCN(/C=C/C=O)CCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-16-20(18-15-19-21)17-14-12-10-8-6-4-2/h15,18-19H,3-14,16-17H2,1-2H3/b18-15+
InChIKeyGJPINYIYHUPZPI-OBGWFSINSA-N
MW295.51 g/mol
LogP5.72
Rot. Bonds16

About (E)-3-(dioctylamino)prop-2-enal

(E)-3-(dioctylamino)prop-2-enal (PubChem CID 134949607) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (E)-3-(dioctylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(dioctylamino)prop-2-enal
PubChem CID134949607
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(E)-3-(dioctylamino)prop-2-enal
SMILESCCCCCCCCN(/C=C/C=O)CCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-16-20(18-15-19-21)17-14-12-10-8-6-4-2/h15,18-19H,3-14,16-17H2,1-2H3/b18-15+
InChIKeyGJPINYIYHUPZPI-OBGWFSINSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
CID 154124490
N-butyl-N-octadecylformamide
CID 54030417
N-ethyl-N-hexylformamide
CID 54565973
N-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369
N-butyl-N-oct-1-enyloctan-1-amine
CID 139766519
(2Z,4E)-5-(dihexylamino)-2-methylpenta-2,4-dienenitrile
CID 58559705
2-[(E)-3-(dihexylamino)prop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 130327984
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
N-methyl-N-tetradecylformamide
CID 10422507
(E)-non-2-enal
CID 160680674

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dioctylamino)prop-2-enal?
The IUPAC name of (E)-3-(dioctylamino)prop-2-enal (CID 134949607) is (E)-3-(dioctylamino)prop-2-enal.
What is the SMILES notation for (E)-3-(dioctylamino)prop-2-enal?
The canonical SMILES for (E)-3-(dioctylamino)prop-2-enal is CCCCCCCCN(/C=C/C=O)CCCCCCCC.
What is the InChIKey of (E)-3-(dioctylamino)prop-2-enal?
The InChIKey is GJPINYIYHUPZPI-OBGWFSINSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-7-9-11-13-16-20(18-15-19-21)17-14-12-10-8-6-4-2/h15,18-19H,3-14,16-17H2,1-2H3/b18-15+.
What are the key properties of (E)-3-(dioctylamino)prop-2-enal?
(E)-3-(dioctylamino)prop-2-enal has a molecular weight of 295.51 g/mol, XLogP of 5.72, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dioctylamino)prop-2-enal is sourced from PubChem (CID 134949607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).