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

C14H24N4 — CID 106567076

IUPAC4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCC1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-4-7-18-11-12(2)16-14(18)15-10-13-5-8-17(3)9-6-13/h4,11,13H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyKXVHRUACMSULCT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds5

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

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106567076) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106567076
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCC1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-4-7-18-11-12(2)16-14(18)15-10-13-5-8-17(3)9-6-13/h4,11,13H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyKXVHRUACMSULCT-UHFFFAOYSA-N
XLogP2.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine (CID 106567076) is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCC1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is KXVHRUACMSULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-7-18-11-12(2)16-14(18)15-10-13-5-8-17(3)9-6-13/h4,11,13H,1,5-10H2,2-3H3,(H,15,16).
What are the key properties of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine?
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106567076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).