N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine

C25H30N2 — CID 71327220

IUPACN,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(C=Cc3ccncc3)ccc2c1
InChIInChI=1S/C25H30N2/c1-3-5-17-27(18-6-4-2)25-12-11-23-19-22(9-10-24(23)20-25)8-7-21-13-15-26-16-14-21/h7-16,19-20H,3-6,17-18H2,1-2H3
InChIKeyNWAAWIWTJGZHJM-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.81
Rot. Bonds9

About N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine

N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine (PubChem CID 71327220) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine
PubChem CID71327220
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(C=Cc3ccncc3)ccc2c1
InChIInChI=1S/C25H30N2/c1-3-5-17-27(18-6-4-2)25-12-11-23-19-22(9-10-24(23)20-25)8-7-21-13-15-26-16-14-21/h7-16,19-20H,3-6,17-18H2,1-2H3
InChIKeyNWAAWIWTJGZHJM-UHFFFAOYSA-N
XLogP6.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine?
The IUPAC name of N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine (CID 71327220) is N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine.
What is the SMILES notation for N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine?
The canonical SMILES for N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine is CCCCN(CCCC)c1ccc2cc(C=Cc3ccncc3)ccc2c1.
What is the InChIKey of N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine?
The InChIKey is NWAAWIWTJGZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-3-5-17-27(18-6-4-2)25-12-11-23-19-22(9-10-24(23)20-25)8-7-21-13-15-26-16-14-21/h7-16,19-20H,3-6,17-18H2,1-2H3.
What are the key properties of N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine?
N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine has a molecular weight of 358.53 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-(2-pyridin-4-ylethenyl)naphthalen-2-amine is sourced from PubChem (CID 71327220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).