N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline

C34H61N — CID 150846070

IUPACN,N-bis(10,10-dimethylundecyl)-3-ethenylaniline
SMILESC=Cc1cccc(N(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C)c1
InChIInChI=1S/C34H61N/c1-8-31-24-23-25-32(30-31)35(28-21-17-13-9-11-15-19-26-33(2,3)4)29-22-18-14-10-12-16-20-27-34(5,6)7/h8,23-25,30H,1,9-22,26-29H2,2-7H3
InChIKeyKPAGEPYXNCBXJH-UHFFFAOYSA-N
MW483.87 g/mol
LogP11.47
Rot. Bonds20

About N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline

N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline (PubChem CID 150846070) has the molecular formula C34H61N and a molecular weight of 483.87 g/mol. Its IUPAC name is N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline.

Molecular Properties

Compound NameN,N-bis(10,10-dimethylundecyl)-3-ethenylaniline
PubChem CID150846070
Molecular FormulaC34H61N
Molecular Weight483.87 g/mol
Exact Mass483.48
IUPAC NameN,N-bis(10,10-dimethylundecyl)-3-ethenylaniline
SMILESC=Cc1cccc(N(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C)c1
InChIInChI=1S/C34H61N/c1-8-31-24-23-25-32(30-31)35(28-21-17-13-9-11-15-19-26-33(2,3)4)29-22-18-14-10-12-16-20-27-34(5,6)7/h8,23-25,30H,1,9-22,26-29H2,2-7H3
InChIKeyKPAGEPYXNCBXJH-UHFFFAOYSA-N
XLogP11.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline?
The IUPAC name of N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline (CID 150846070) is N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline.
What is the SMILES notation for N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline?
The canonical SMILES for N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline is C=Cc1cccc(N(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C)c1.
What is the InChIKey of N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline?
The InChIKey is KPAGEPYXNCBXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61N/c1-8-31-24-23-25-32(30-31)35(28-21-17-13-9-11-15-19-26-33(2,3)4)29-22-18-14-10-12-16-20-27-34(5,6)7/h8,23-25,30H,1,9-22,26-29H2,2-7H3.
What are the key properties of N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline?
N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline has a molecular weight of 483.87 g/mol, XLogP of 11.47, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline is sourced from PubChem (CID 150846070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).