1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine

C15H26N4 — CID 106552933

IUPAC1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
SMILESC=CCn1cc(CC)nc1N1CCCCC1CNC
InChIInChI=1S/C15H26N4/c1-4-9-18-12-13(5-2)17-15(18)19-10-7-6-8-14(19)11-16-3/h4,12,14,16H,1,5-11H2,2-3H3
InChIKeyRZCJWMREUBNPTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.21
Rot. Bonds6

About 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine

1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 106552933) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
PubChem CID106552933
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
SMILESC=CCn1cc(CC)nc1N1CCCCC1CNC
InChIInChI=1S/C15H26N4/c1-4-9-18-12-13(5-2)17-15(18)19-10-7-6-8-14(19)11-16-3/h4,12,14,16H,1,5-11H2,2-3H3
InChIKeyRZCJWMREUBNPTK-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552936
N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine
CID 106552927
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
(4aS,7aS)-6-(4-ethyl-1-prop-2-enylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553822
[1-(1-cyclopropyl-4-ethylimidazol-2-yl)piperidin-2-yl]methanamine
CID 106552245
1-[1-(1-cyclopentyl-4-methylimidazol-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 106553546
1-[1-(5-ethyl-1H-imidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552921
N-methyl-1-[1-(4-methyl-1-phenylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553535
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine (CID 106552933) is 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine is C=CCn1cc(CC)nc1N1CCCCC1CNC.
What is the InChIKey of 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is RZCJWMREUBNPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-9-18-12-13(5-2)17-15(18)19-10-7-6-8-14(19)11-16-3/h4,12,14,16H,1,5-11H2,2-3H3.
What are the key properties of 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106552933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).