1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine

C41H73N — CID 146359749

IUPAC1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine
SMILESC=CC(CCCCCCCCC)CCCCc1cc(CCCCC(C=C)CCCCCCCCC)cc(CN(C)C)c1
InChIInChI=1S/C41H73N/c1-7-11-13-15-17-19-21-27-37(9-3)29-23-25-31-39-33-40(35-41(34-39)36-42(5)6)32-26-24-30-38(10-4)28-22-20-18-16-14-12-8-2/h9-10,33-35,37-38H,3-4,7-8,11-32,36H2,1-2,5-6H3
InChIKeyVWORNCHKPOYVQC-UHFFFAOYSA-N
MW580.04 g/mol
LogP13.06
Rot. Bonds30

About 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine

1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 146359749) has the molecular formula C41H73N and a molecular weight of 580.04 g/mol. Its IUPAC name is 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine
PubChem CID146359749
Molecular FormulaC41H73N
Molecular Weight580.04 g/mol
Exact Mass579.57
IUPAC Name1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine
SMILESC=CC(CCCCCCCCC)CCCCc1cc(CCCCC(C=C)CCCCCCCCC)cc(CN(C)C)c1
InChIInChI=1S/C41H73N/c1-7-11-13-15-17-19-21-27-37(9-3)29-23-25-31-39-33-40(35-41(34-39)36-42(5)6)32-26-24-30-38(10-4)28-22-20-18-16-14-12-8-2/h9-10,33-35,37-38H,3-4,7-8,11-32,36H2,1-2,5-6H3
InChIKeyVWORNCHKPOYVQC-UHFFFAOYSA-N
XLogP13.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.04
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[3-(3-methylidene-5-octyltridecyl)-5-pentadecylphenyl]methanamine
CID 146359720
N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine
CID 146359679
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
1-[3,5-bis(9-hexyl-3-methylidenepentadecyl)phenyl]-N,N-dimethylmethanamine
CID 146359603
1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine
CID 146359719
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
CID 162333767
2-ethenyltetradecylbenzene
CID 173452613
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
(3R)-3-ethyloct-1-ene
CID 50898077
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine (CID 146359749) is 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine is C=CC(CCCCCCCCC)CCCCc1cc(CCCCC(C=C)CCCCCCCCC)cc(CN(C)C)c1.
What is the InChIKey of 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is VWORNCHKPOYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H73N/c1-7-11-13-15-17-19-21-27-37(9-3)29-23-25-31-39-33-40(35-41(34-39)36-42(5)6)32-26-24-30-38(10-4)28-22-20-18-16-14-12-8-2/h9-10,33-35,37-38H,3-4,7-8,11-32,36H2,1-2,5-6H3.
What are the key properties of 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine?
1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 580.04 g/mol, XLogP of 13.06, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 146359749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).