4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline

C29H38N2 — CID 139763507

IUPAC4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C(CC)(CC)c2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C29H38N2/c1-7-21-30(22-8-2)27-17-13-25(14-18-27)29(11-5,12-6)26-15-19-28(20-16-26)31(23-9-3)24-10-4/h7-10,13-20H,1-4,11-12,21-24H2,5-6H3
InChIKeyZOAOYAWZRCIRQH-UHFFFAOYSA-N
MW414.64 g/mol
LogP7.15
Rot. Bonds14

About 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline

4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline (PubChem CID 139763507) has the molecular formula C29H38N2 and a molecular weight of 414.64 g/mol. Its IUPAC name is 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline
PubChem CID139763507
Molecular FormulaC29H38N2
Molecular Weight414.64 g/mol
Exact Mass414.30
IUPAC Name4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C(CC)(CC)c2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C29H38N2/c1-7-21-30(22-8-2)27-17-13-25(14-18-27)29(11-5,12-6)26-15-19-28(20-16-26)31(23-9-3)24-10-4/h7-10,13-20H,1-4,11-12,21-24H2,5-6H3
InChIKeyZOAOYAWZRCIRQH-UHFFFAOYSA-N
XLogP7.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
CID 139763508
ethyl (2S)-2-[4-[bis(prop-2-enyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 10569373
4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
1,1,5,5-tetrakis[4-[bis(prop-2-enyl)amino]phenyl]penta-2,4-dienyl perchlorate
CID 88625923
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064
3-(4-tert-butyl-N-prop-2-enylanilino)-2-methylpropanoic acid
CID 82317679
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
2-methyl-3-[N-prop-2-enyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317719

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline (CID 139763507) is 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(C(CC)(CC)c2ccc(N(CC=C)CC=C)cc2)cc1.
What is the InChIKey of 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline?
The InChIKey is ZOAOYAWZRCIRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2/c1-7-21-30(22-8-2)27-17-13-25(14-18-27)29(11-5,12-6)26-15-19-28(20-16-26)31(23-9-3)24-10-4/h7-10,13-20H,1-4,11-12,21-24H2,5-6H3.
What are the key properties of 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline?
4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline has a molecular weight of 414.64 g/mol, XLogP of 7.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 139763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).