N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine

C15H28N4 — CID 114708201

IUPACN-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C15H28N4/c1-13(18-8-6-5-7-9-18)11-19-12-17-10-14(19)15(2,3)16-4/h10,12-13,16H,5-9,11H2,1-4H3
InChIKeyYJYCQPWPMXHWQC-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine

N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine (PubChem CID 114708201) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
PubChem CID114708201
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C15H28N4/c1-13(18-8-6-5-7-9-18)11-19-12-17-10-14(19)15(2,3)16-4/h10,12-13,16H,5-9,11H2,1-4H3
InChIKeyYJYCQPWPMXHWQC-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708450
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
CID 114708451
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
CID 114708466
1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980209
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980226
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
N-methyl-2-[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]propan-2-amine
CID 114708459
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine (CID 114708201) is N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CC(C)N1CCCCC1.
What is the InChIKey of N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The InChIKey is YJYCQPWPMXHWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(18-8-6-5-7-9-18)11-19-12-17-10-14(19)15(2,3)16-4/h10,12-13,16H,5-9,11H2,1-4H3.
What are the key properties of N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).