N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine

C13H22N4 — CID 106552927

IUPACN-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine
SMILESC=CCn1ccnc1N1CCCCC1CNC
InChIInChI=1S/C13H22N4/c1-3-8-16-10-7-15-13(16)17-9-5-4-6-12(17)11-14-2/h3,7,10,12,14H,1,4-6,8-9,11H2,2H3
InChIKeySOLIIUNVTNEPFY-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.65
Rot. Bonds5

About N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine

N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine (PubChem CID 106552927) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine
PubChem CID106552927
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine
SMILESC=CCn1ccnc1N1CCCCC1CNC
InChIInChI=1S/C13H22N4/c1-3-8-16-10-7-15-13(16)17-9-5-4-6-12(17)11-14-2/h3,7,10,12,14H,1,4-6,8-9,11H2,2H3
InChIKeySOLIIUNVTNEPFY-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.65
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-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552933
1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553526
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
1-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552936
[1-(1-methylimidazol-2-yl)piperidin-2-yl]methanol
CID 62133846
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106563824
2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80662448
1-[1-(5-ethyl-1H-imidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552921
1-[1-(1-cyclopentyl-4-methylimidazol-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 106553546
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
5-(1-prop-2-enylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553003

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine (CID 106552927) is N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine is C=CCn1ccnc1N1CCCCC1CNC.
What is the InChIKey of N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine?
The InChIKey is SOLIIUNVTNEPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-8-16-10-7-15-13(16)17-9-5-4-6-12(17)11-14-2/h3,7,10,12,14H,1,4-6,8-9,11H2,2H3.
What are the key properties of N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 106552927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).