4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline

C28H36N2 — CID 11188795

IUPAC4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cc(C)c(-c2c(C)cc(N(CC=C)CC=C)cc2C)c(C)c1
InChIInChI=1S/C28H36N2/c1-9-13-29(14-10-2)25-17-21(5)27(22(6)18-25)28-23(7)19-26(20-24(28)8)30(15-11-3)16-12-4/h9-12,17-20H,1-4,13-16H2,5-8H3
InChIKeyDSHGNBYTUFNNFQ-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.94
Rot. Bonds11

About 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline

4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline (PubChem CID 11188795) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
PubChem CID11188795
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC Name4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cc(C)c(-c2c(C)cc(N(CC=C)CC=C)cc2C)c(C)c1
InChIInChI=1S/C28H36N2/c1-9-13-29(14-10-2)25-17-21(5)27(22(6)18-25)28-23(7)19-26(20-24(28)8)30(15-11-3)16-12-4/h9-12,17-20H,1-4,13-16H2,5-8H3
InChIKeyDSHGNBYTUFNNFQ-UHFFFAOYSA-N
XLogP6.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline (CID 11188795) is 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1cc(C)c(-c2c(C)cc(N(CC=C)CC=C)cc2C)c(C)c1.
What is the InChIKey of 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The InChIKey is DSHGNBYTUFNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2/c1-9-13-29(14-10-2)25-17-21(5)27(22(6)18-25)28-23(7)19-26(20-24(28)8)30(15-11-3)16-12-4/h9-12,17-20H,1-4,13-16H2,5-8H3.
What are the key properties of 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline has a molecular weight of 400.61 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 11188795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).