N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C17H30N4 — CID 46984007

IUPACN-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(C)CCN2CCCCC2C)c(C)n1
InChIInChI=1S/C17H30N4/c1-5-9-21-14-17(16(3)18-21)13-19(4)11-12-20-10-7-6-8-15(20)2/h5,14-15H,1,6-13H2,2-4H3
InChIKeyLBGQTCSVEPUDCD-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.68
Rot. Bonds7

About N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46984007) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46984007
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(C)CCN2CCCCC2C)c(C)n1
InChIInChI=1S/C17H30N4/c1-5-9-21-14-17(16(3)18-21)13-19(4)11-12-20-10-7-6-8-15(20)2/h5,14-15H,1,6-13H2,2-4H3
InChIKeyLBGQTCSVEPUDCD-UHFFFAOYSA-N
XLogP2.68
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
CID 50952219
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124754878
N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 99956059
1-cyclopropyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 46986198
1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide
CID 95402859
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]methanamine
CID 46999860
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 124751623
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170
3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 46986407

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46984007) is N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(C)CCN2CCCCC2C)c(C)n1.
What is the InChIKey of N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LBGQTCSVEPUDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-9-21-14-17(16(3)18-21)13-19(4)11-12-20-10-7-6-8-15(20)2/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46984007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).