3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal

C16H21NO — CID 62276195

IUPAC3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
SMILESC=CCN(CC=C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C16H21NO/c1-4-11-17(12-5-2)13-16(3,14-18)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3
InChIKeyJBXMZBXVRFWLJF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.82
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal

3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal (PubChem CID 62276195) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
PubChem CID62276195
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
SMILESC=CCN(CC=C)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C16H21NO/c1-4-11-17(12-5-2)13-16(3,14-18)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3
InChIKeyJBXMZBXVRFWLJF-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
CID 113339929
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal (CID 62276195) is 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal is C=CCN(CC=C)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal?
The InChIKey is JBXMZBXVRFWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-11-17(12-5-2)13-16(3,14-18)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal?
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal has a molecular weight of 243.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62276195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).