(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

C16H17IN2 — CID 11291351

IUPAC(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccc([123I])cc1)c1cccnc1
InChIInChI=1S/C16H17IN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-/i17-4
InChIKeyPEHSPOJQDWLUFV-AKTIBJBQSA-N
MW360.23 g/mol
LogP3.68
Rot. Bonds4

About (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 11291351) has the molecular formula C16H17IN2 and a molecular weight of 360.23 g/mol. Its IUPAC name is (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID11291351
Molecular FormulaC16H17IN2
Molecular Weight360.23 g/mol
Exact Mass360.04
IUPAC Name(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccc([123I])cc1)c1cccnc1
InChIInChI=1S/C16H17IN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-/i17-4
InChIKeyPEHSPOJQDWLUFV-AKTIBJBQSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717111
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
CID 54592364
2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol
CID 170887479
N-[(E)-3-(4-bromophenyl)-3-pyridin-3-ylprop-2-enyl]-methoxy-N-methylphosphonamidic acid
CID 58600544
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
CID 126483479
(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile
CID 12037398

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (CID 11291351) is (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is CN(C)C/C=C(/c1ccc([123I])cc1)c1cccnc1.
What is the InChIKey of (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is PEHSPOJQDWLUFV-AKTIBJBQSA-N. The full InChI is InChI=1S/C16H17IN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-/i17-4.
What are the key properties of (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 360.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 11291351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).