N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine

C9H18N2 — CID 115012001

IUPACN-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine
SMILESCNCC=C1CCCN(C)C1
InChIInChI=1S/C9H18N2/c1-10-6-5-9-4-3-7-11(2)8-9/h5,10H,3-4,6-8H2,1-2H3
InChIKeyUSGCAAIQOBZSGT-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine

N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine (PubChem CID 115012001) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine
PubChem CID115012001
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine
SMILESCNCC=C1CCCN(C)C1
InChIInChI=1S/C9H18N2/c1-10-6-5-9-4-3-7-11(2)8-9/h5,10H,3-4,6-8H2,1-2H3
InChIKeyUSGCAAIQOBZSGT-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine (CID 115012001) is N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine is CNCC=C1CCCN(C)C1.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine?
The InChIKey is USGCAAIQOBZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-6-5-9-4-3-7-11(2)8-9/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine?
N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-3-ylidene)ethanamine is sourced from PubChem (CID 115012001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).