N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine

C15H28N4O — CID 59927709

IUPACN,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine
SMILESCN(C)Cc1cnc(OCCCN2CCCCC2)n1C
InChIInChI=1S/C15H28N4O/c1-17(2)13-14-12-16-15(18(14)3)20-11-7-10-19-8-5-4-6-9-19/h12H,4-11,13H2,1-3H3
InChIKeyANMINFRZHJEETI-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.74
Rot. Bonds7

About N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine

N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine (PubChem CID 59927709) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine
PubChem CID59927709
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine
SMILESCN(C)Cc1cnc(OCCCN2CCCCC2)n1C
InChIInChI=1S/C15H28N4O/c1-17(2)13-14-12-16-15(18(14)3)20-11-7-10-19-8-5-4-6-9-19/h12H,4-11,13H2,1-3H3
InChIKeyANMINFRZHJEETI-UHFFFAOYSA-N
XLogP1.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine (CID 59927709) is N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine is CN(C)Cc1cnc(OCCCN2CCCCC2)n1C.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine?
The InChIKey is ANMINFRZHJEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-17(2)13-14-12-16-15(18(14)3)20-11-7-10-19-8-5-4-6-9-19/h12H,4-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine?
N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine is sourced from PubChem (CID 59927709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).