(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal

C23H30N2O — CID 102265565

IUPAC(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal
SMILESCC(C)=C[C@@H](C=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H30N2O/c1-17(2)15-20(16-26)23(18-7-11-21(12-8-18)24(3)4)19-9-13-22(14-10-19)25(5)6/h7-16,20,23H,1-6H3/t20-/m0/s1
InChIKeyPUCWUSCDRBEZEO-FQEVSTJZSA-N
MW350.51 g/mol
LogP4.73
Rot. Bonds7

About (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal

(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal (PubChem CID 102265565) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal.

Molecular Properties

Compound Name(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal
PubChem CID102265565
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal
SMILESCC(C)=C[C@@H](C=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H30N2O/c1-17(2)15-20(16-26)23(18-7-11-21(12-8-18)24(3)4)19-9-13-22(14-10-19)25(5)6/h7-16,20,23H,1-6H3/t20-/m0/s1
InChIKeyPUCWUSCDRBEZEO-FQEVSTJZSA-N
XLogP4.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-phenylpent-3-enal
CID 102265564
(2S)-2-[bis[4-(dimethylamino)phenyl]methyl]-3-methylbutanal
CID 139251026
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
(Z,4R)-5,5-bis[4-(dimethylamino)phenyl]-4-(4-methoxyphenyl)-2-methylpent-2-enal
CID 177406918
S-[bis[4-(dimethylamino)phenyl]methyl] ethanethioate
CID 12656517
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
2,4-bis[4-(dimethylamino)phenyl]-1,1,5,5-tetrahydroxypentan-3-one
CID 174873775
1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one
CID 82161718
3-(benzenesulfonyl)-4,4-bis[4-(dimethylamino)phenyl]butan-2-one
CID 122221723
(2R)-3,3-bis[4-(dimethylamino)phenyl]-2-[(2-fluorophenyl)methyl]propanal
CID 53359333
N-[2-amino-1-[4-(dimethylamino)phenyl]-2-sulfanylideneethyl]-N-methylacetamide
CID 82122665
4-[4-(dimethylamino)phenyl]tellurinyl-N,N-dimethylaniline
CID 11825156

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal?
The IUPAC name of (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal (CID 102265565) is (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal.
What is the SMILES notation for (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal?
The canonical SMILES for (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal is CC(C)=C[C@@H](C=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal?
The InChIKey is PUCWUSCDRBEZEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-17(2)15-20(16-26)23(18-7-11-21(12-8-18)24(3)4)19-9-13-22(14-10-19)25(5)6/h7-16,20,23H,1-6H3/t20-/m0/s1.
What are the key properties of (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal?
(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal has a molecular weight of 350.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal is sourced from PubChem (CID 102265565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).