1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine

C14H24N4 — CID 106581944

IUPAC1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CCC1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-3-7-15-14-16-8-12-18(14)11-6-13-4-9-17(2)10-5-13/h3,8,12-13H,1,4-7,9-11H2,2H3,(H,15,16)
InChIKeyYXSFWQIXGGGNDO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds6

About 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine

1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine (PubChem CID 106581944) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
PubChem CID106581944
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CCC1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-3-7-15-14-16-8-12-18(14)11-6-13-4-9-17(2)10-5-13/h3,8,12-13H,1,4-7,9-11H2,2H3,(H,15,16)
InChIKeyYXSFWQIXGGGNDO-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
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-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
1-(2-cyclopentylethyl)-N-ethylimidazol-2-amine
CID 106563426
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106573669
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
1-[2-(2-methoxyethoxy)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106564442
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine (CID 106581944) is 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CCC1CCN(C)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
The InChIKey is YXSFWQIXGGGNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-15-14-16-8-12-18(14)11-6-13-4-9-17(2)10-5-13/h3,8,12-13H,1,4-7,9-11H2,2H3,(H,15,16).
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine?
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine has a molecular weight of 248.37 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-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106581944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).