4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine

C14H24N4 — CID 106565052

IUPAC4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCN1CCCCC1
InChIInChI=1S/C14H24N4/c1-3-7-15-14-16-13(2)12-18(14)11-10-17-8-5-4-6-9-17/h3,12H,1,4-11H2,2H3,(H,15,16)
InChIKeyZQCQRFATZNLNBX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.28
Rot. Bonds6

About 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine

4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106565052) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106565052
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCN1CCCCC1
InChIInChI=1S/C14H24N4/c1-3-7-15-14-16-13(2)12-18(14)11-10-17-8-5-4-6-9-17/h3,12H,1,4-11H2,2H3,(H,15,16)
InChIKeyZQCQRFATZNLNBX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
4-methyl-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570264
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106572476

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine (CID 106565052) is 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCN1CCCCC1.
What is the InChIKey of 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is ZQCQRFATZNLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-15-14-16-13(2)12-18(14)11-10-17-8-5-4-6-9-17/h3,12H,1,4-11H2,2H3,(H,15,16).
What are the key properties of 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106565052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).