N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline

C24H37N3 — CID 20979273

IUPACN-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline
SMILESCCCCCCCCCCCC(Cc1cnccn1)N(C)c1ccccc1
InChIInChI=1S/C24H37N3/c1-3-4-5-6-7-8-9-10-12-17-24(20-22-21-25-18-19-26-22)27(2)23-15-13-11-14-16-23/h11,13-16,18-19,21,24H,3-10,12,17,20H2,1-2H3
InChIKeyHCPWVVDRIWZNMV-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.45
Rot. Bonds14

About N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline

N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline (PubChem CID 20979273) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline
PubChem CID20979273
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC NameN-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline
SMILESCCCCCCCCCCCC(Cc1cnccn1)N(C)c1ccccc1
InChIInChI=1S/C24H37N3/c1-3-4-5-6-7-8-9-10-12-17-24(20-22-21-25-18-19-26-22)27(2)23-15-13-11-14-16-23/h11,13-16,18-19,21,24H,3-10,12,17,20H2,1-2H3
InChIKeyHCPWVVDRIWZNMV-UHFFFAOYSA-N
XLogP6.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
CID 165044391
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
N-hexadecan-4-yl-N-phenylaniline
CID 174670846
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
1-hexadecan-4-yl-1-phenylhydrazine
CID 175509385
N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
CID 81024221
2-(2-chlorononyl)pyridine
CID 66459167
2-(2-bromodecyl)pyridine
CID 66452883
1-pyrazin-2-ylnonan-1-amine
CID 62600507
N-dodecyl-N-methylaniline;pyridine
CID 22157792
1-pyrazin-2-yltridecan-1-amine
CID 62601846

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline?
The IUPAC name of N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline (CID 20979273) is N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline.
What is the SMILES notation for N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline?
The canonical SMILES for N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline is CCCCCCCCCCCC(Cc1cnccn1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline?
The InChIKey is HCPWVVDRIWZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-3-4-5-6-7-8-9-10-12-17-24(20-22-21-25-18-19-26-22)27(2)23-15-13-11-14-16-23/h11,13-16,18-19,21,24H,3-10,12,17,20H2,1-2H3.
What are the key properties of N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline?
N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline has a molecular weight of 367.58 g/mol, XLogP of 6.45, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyrazin-2-yltridecan-2-yl)aniline is sourced from PubChem (CID 20979273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).