(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine

C11H20N2 — CID 134406809

IUPAC(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine
SMILESCN/C(C)=C\C=C1/CCCN(C)C1
InChIInChI=1S/C11H20N2/c1-10(12-2)6-7-11-5-4-8-13(3)9-11/h6-7,12H,4-5,8-9H2,1-3H3/b10-6-,11-7+
InChIKeyJRHUFORXCHMHOC-NAKBGQTNSA-N
MW180.29 g/mol
LogP1.76
Rot. Bonds2

About (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine

(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine (PubChem CID 134406809) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine
PubChem CID134406809
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine
SMILESCN/C(C)=C\C=C1/CCCN(C)C1
InChIInChI=1S/C11H20N2/c1-10(12-2)6-7-11-5-4-8-13(3)9-11/h6-7,12H,4-5,8-9H2,1-3H3/b10-6-,11-7+
InChIKeyJRHUFORXCHMHOC-NAKBGQTNSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine?
The IUPAC name of (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine (CID 134406809) is (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine.
What is the SMILES notation for (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine?
The canonical SMILES for (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine is CN/C(C)=C\C=C1/CCCN(C)C1.
What is the InChIKey of (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine?
The InChIKey is JRHUFORXCHMHOC-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(12-2)6-7-11-5-4-8-13(3)9-11/h6-7,12H,4-5,8-9H2,1-3H3/b10-6-,11-7+.
What are the key properties of (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine?
(Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-N-methyl-4-(1-methylpiperidin-3-ylidene)but-2-en-2-amine is sourced from PubChem (CID 134406809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).