(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

C11H20N2 — CID 142878226

IUPAC(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C)C1CCCCN1C
InChIInChI=1S/C11H20N2/c1-4-10(9-12-2)11-7-5-6-8-13(11)3/h4,9,11H,5-8H2,1-3H3/b10-4+,12-9+
InChIKeySASUGMGACNAJGR-XCTMZBPXSA-N
MW180.30 g/mol
LogP2.12
Rot. Bonds2

About (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (PubChem CID 142878226) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
PubChem CID142878226
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C)C1CCCCN1C
InChIInChI=1S/C11H20N2/c1-4-10(9-12-2)11-7-5-6-8-13(11)3/h4,9,11H,5-8H2,1-3H3/b10-4+,12-9+
InChIKeySASUGMGACNAJGR-XCTMZBPXSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (CID 142878226) is (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is C/C=C(\C=N\C)C1CCCCN1C.
What is the InChIKey of (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The InChIKey is SASUGMGACNAJGR-XCTMZBPXSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(9-12-2)11-7-5-6-8-13(11)3/h4,9,11H,5-8H2,1-3H3/b10-4+,12-9+.
What are the key properties of (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine has a molecular weight of 180.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is sourced from PubChem (CID 142878226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).