(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine

C11H18N2 — CID 129312194

IUPAC(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C/C1(C)CC=NC=C1C
InChIInChI=1S/C11H18N2/c1-9-8-13-6-5-11(9,3)7-10(2)12-4/h6-8,12H,5H2,1-4H3/b10-7+
InChIKeyDOZAJKUFVFZPFI-JXMROGBWSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds2

About (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine

(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine (PubChem CID 129312194) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine
PubChem CID129312194
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine
SMILESCN/C(C)=C/C1(C)CC=NC=C1C
InChIInChI=1S/C11H18N2/c1-9-8-13-6-5-11(9,3)7-10(2)12-4/h6-8,12H,5H2,1-4H3/b10-7+
InChIKeyDOZAJKUFVFZPFI-JXMROGBWSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine?
The IUPAC name of (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine (CID 129312194) is (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine is CN/C(C)=C/C1(C)CC=NC=C1C.
What is the InChIKey of (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine?
The InChIKey is DOZAJKUFVFZPFI-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-8-13-6-5-11(9,3)7-10(2)12-4/h6-8,12H,5H2,1-4H3/b10-7+.
What are the key properties of (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine?
(E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4,5-dimethyl-3H-pyridin-4-yl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 129312194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).