(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine

C10H18N2 — CID 134406753

IUPAC(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine
SMILESCN/C(C)=C\C=C1/CCCNC1
InChIInChI=1S/C10H18N2/c1-9(11-2)5-6-10-4-3-7-12-8-10/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-5-,10-6+
InChIKeyTXELYZMGEVBWOX-VTBWALSUSA-N
MW166.27 g/mol
LogP1.42
Rot. Bonds2

About (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine

(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine (PubChem CID 134406753) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine
PubChem CID134406753
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine
SMILESCN/C(C)=C\C=C1/CCCNC1
InChIInChI=1S/C10H18N2/c1-9(11-2)5-6-10-4-3-7-12-8-10/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-5-,10-6+
InChIKeyTXELYZMGEVBWOX-VTBWALSUSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine?
The IUPAC name of (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine (CID 134406753) is (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine.
What is the SMILES notation for (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine?
The canonical SMILES for (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine is CN/C(C)=C\C=C1/CCCNC1.
What is the InChIKey of (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine?
The InChIKey is TXELYZMGEVBWOX-VTBWALSUSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(11-2)5-6-10-4-3-7-12-8-10/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-5-,10-6+.
What are the key properties of (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine?
(Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-N-methyl-4-piperidin-3-ylidenebut-2-en-2-amine is sourced from PubChem (CID 134406753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).