N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine

C19H18N2 — CID 90435851

IUPACN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine
SMILESCN(C)c1ccc(/C=C/c2ccccn2)c2ccccc12
InChIInChI=1S/C19H18N2/c1-21(2)19-13-11-15(17-8-3-4-9-18(17)19)10-12-16-7-5-6-14-20-16/h3-14H,1-2H3/b12-10+
InChIKeyIVQLRTHYRZOUNX-ZRDIBKRKSA-N
MW274.37 g/mol
LogP4.47
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine

N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine (PubChem CID 90435851) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine
PubChem CID90435851
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine
SMILESCN(C)c1ccc(/C=C/c2ccccn2)c2ccccc12
InChIInChI=1S/C19H18N2/c1-21(2)19-13-11-15(17-8-3-4-9-18(17)19)10-12-16-7-5-6-14-20-16/h3-14H,1-2H3/b12-10+
InChIKeyIVQLRTHYRZOUNX-ZRDIBKRKSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
(E)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-enoic acid
CID 91757089
2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]pyridine
CID 15352165
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
4-[(E)-2-(6-chloro-1-methylbenzimidazol-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 89184904
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 20673951
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
4-[2-[1-[2-[2-[2-[2-[4-(dimethylamino)naphthalen-1-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 76595650
2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
CID 66775546
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine?
The IUPAC name of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine (CID 90435851) is N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine is CN(C)c1ccc(/C=C/c2ccccn2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine?
The InChIKey is IVQLRTHYRZOUNX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H18N2/c1-21(2)19-13-11-15(17-8-3-4-9-18(17)19)10-12-16-7-5-6-14-20-16/h3-14H,1-2H3/b12-10+.
What are the key properties of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine?
N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine has a molecular weight of 274.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine is sourced from PubChem (CID 90435851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).