(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine

C12H18N2 — CID 103093164

IUPAC(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(C)cn1
InChIInChI=1S/C12H18N2/c1-9-5-6-12(14-8-9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+
InChIKeyZWRNBKGICFQIEM-JXMROGBWSA-N
MW190.29 g/mol
LogP2.40
Rot. Bonds3

About (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine

(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine (PubChem CID 103093164) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
PubChem CID103093164
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(C)cn1
InChIInChI=1S/C12H18N2/c1-9-5-6-12(14-8-9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+
InChIKeyZWRNBKGICFQIEM-JXMROGBWSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine (CID 103093164) is (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(C)cn1.
What is the InChIKey of (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine?
The InChIKey is ZWRNBKGICFQIEM-JXMROGBWSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-5-6-12(14-8-9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+.
What are the key properties of (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine?
(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine is sourced from PubChem (CID 103093164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).