17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine

C27H47N — CID 178066852

IUPAC17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
SMILESC=Cc1ccc(CCCCCCCCCCCCCCCCCN(C)C)cc1
InChIInChI=1S/C27H47N/c1-4-26-21-23-27(24-22-26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-28(2)3/h4,21-24H,1,5-20,25H2,2-3H3
InChIKeyXESXQCJGCMLPHE-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.29
Rot. Bonds19

About 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine

17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine (PubChem CID 178066852) has the molecular formula C27H47N and a molecular weight of 385.68 g/mol. Its IUPAC name is 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine.

Molecular Properties

Compound Name17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
PubChem CID178066852
Molecular FormulaC27H47N
Molecular Weight385.68 g/mol
Exact Mass385.37
IUPAC Name17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
SMILESC=Cc1ccc(CCCCCCCCCCCCCCCCCN(C)C)cc1
InChIInChI=1S/C27H47N/c1-4-26-21-23-27(24-22-26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-28(2)3/h4,21-24H,1,5-20,25H2,2-3H3
InChIKeyXESXQCJGCMLPHE-UHFFFAOYSA-N
XLogP8.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.29
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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Related Compounds

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175

Frequently Asked Questions

What is the IUPAC name of 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine?
The IUPAC name of 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine (CID 178066852) is 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine.
What is the SMILES notation for 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine?
The canonical SMILES for 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine is C=Cc1ccc(CCCCCCCCCCCCCCCCCN(C)C)cc1.
What is the InChIKey of 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine?
The InChIKey is XESXQCJGCMLPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N/c1-4-26-21-23-27(24-22-26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-28(2)3/h4,21-24H,1,5-20,25H2,2-3H3.
What are the key properties of 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine?
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 8.29, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine is sourced from PubChem (CID 178066852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).