(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine

C11H22N2 — CID 135161909

IUPAC(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
SMILESCC/C=C(\NC)C1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-11(12-2)10-6-8-13(3)9-7-10/h5,10,12H,4,6-9H2,1-3H3/b11-5-
InChIKeyHVAHXKJQPJQOQJ-WZUFQYTHSA-N
MW182.31 g/mol
LogP1.84
Rot. Bonds3

About (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine

(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine (PubChem CID 135161909) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
PubChem CID135161909
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
SMILESCC/C=C(\NC)C1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-11(12-2)10-6-8-13(3)9-7-10/h5,10,12H,4,6-9H2,1-3H3/b11-5-
InChIKeyHVAHXKJQPJQOQJ-WZUFQYTHSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The IUPAC name of (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine (CID 135161909) is (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine is CC/C=C(\NC)C1CCN(C)CC1.
What is the InChIKey of (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine?
The InChIKey is HVAHXKJQPJQOQJ-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-11(12-2)10-6-8-13(3)9-7-10/h5,10,12H,4,6-9H2,1-3H3/b11-5-.
What are the key properties of (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine?
(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine is sourced from PubChem (CID 135161909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).