2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine

C12H24N2 — CID 114615500

IUPAC2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CCCN(C)C1
InChIInChI=1S/C12H24N2/c1-10(2)8-13-11(3)12-6-5-7-14(4)9-12/h11-13H,1,5-9H2,2-4H3
InChIKeyRGUIXSJGXWYYCS-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine

2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine (PubChem CID 114615500) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
PubChem CID114615500
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CCCN(C)C1
InChIInChI=1S/C12H24N2/c1-10(2)8-13-11(3)12-6-5-7-14(4)9-12/h11-13H,1,5-9H2,2-4H3
InChIKeyRGUIXSJGXWYYCS-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 114168984
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine (CID 114615500) is 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine is C=C(C)CNC(C)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine?
The InChIKey is RGUIXSJGXWYYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)8-13-11(3)12-6-5-7-14(4)9-12/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine?
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 114615500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).