N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline

C16H22N2 — CID 90775942

IUPACN,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline
SMILESC=C(C1=CCN(C)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2/c1-13(15-9-11-18(4)12-10-15)14-5-7-16(8-6-14)17(2)3/h5-9H,1,10-12H2,2-4H3
InChIKeyQCFHPOPZBYKVKE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.03
Rot. Bonds3

About N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline

N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline (PubChem CID 90775942) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline
PubChem CID90775942
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline
SMILESC=C(C1=CCN(C)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2/c1-13(15-9-11-18(4)12-10-15)14-5-7-16(8-6-14)17(2)3/h5-9H,1,10-12H2,2-4H3
InChIKeyQCFHPOPZBYKVKE-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline (CID 90775942) is N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline is C=C(C1=CCN(C)CC1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline?
The InChIKey is QCFHPOPZBYKVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(15-9-11-18(4)12-10-15)14-5-7-16(8-6-14)17(2)3/h5-9H,1,10-12H2,2-4H3.
What are the key properties of N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline?
N,N-dimethyl-4-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline has a molecular weight of 242.37 g/mol, XLogP of 3.03, 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-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]aniline is sourced from PubChem (CID 90775942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).