2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline

C40H52N4 — CID 139043836

IUPAC2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline
SMILESC/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C.C/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C20H26N2/c2*1-14(2)18-10-8-11-19(15(3)4)20(18)22-16(5)13-17-9-6-7-12-21-17/h2*6-15,22H,1-5H3/b2*16-13-
InChIKeyBKVSEROKGFRNLO-GQMBELHZSA-N
MW588.88 g/mol
LogP11.60
Rot. Bonds10

About 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline

2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline (PubChem CID 139043836) has the molecular formula C40H52N4 and a molecular weight of 588.88 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline
PubChem CID139043836
Molecular FormulaC40H52N4
Molecular Weight588.88 g/mol
Exact Mass588.42
IUPAC Name2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline
SMILESC/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C.C/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C20H26N2/c2*1-14(2)18-10-8-11-19(15(3)4)20(18)22-16(5)13-17-9-6-7-12-21-17/h2*6-15,22H,1-5H3/b2*16-13-
InChIKeyBKVSEROKGFRNLO-GQMBELHZSA-N
XLogP11.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.88
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pheniramine
CID 4761
4-(4-Dimethylaminostyryl)quinoline
CID 668053
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
BC-1215
CID 72201045
Ucl1848
CID 9811445
2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
N-Desmethylpheniramine
CID 161283
Tacrine(8)-4-aminoquinoline
CID 656986
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133
N-(2-pyridinylmethyl)-N-{4-[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl]benzyl}amine
CID 503778
6,6'-Biquinoline
CID 620711
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline?
The IUPAC name of 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline (CID 139043836) is 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline.
What is the SMILES notation for 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline?
The canonical SMILES for 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline is C/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C.C/C(=C/c1ccccn1)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline?
The InChIKey is BKVSEROKGFRNLO-GQMBELHZSA-N. The full InChI is InChI=1S/2C20H26N2/c2*1-14(2)18-10-8-11-19(15(3)4)20(18)22-16(5)13-17-9-6-7-12-21-17/h2*6-15,22H,1-5H3/b2*16-13-.
What are the key properties of 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline?
2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline has a molecular weight of 588.88 g/mol, XLogP of 11.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline is sourced from PubChem (CID 139043836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).