2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

C13H24N4 — CID 115255841

IUPAC2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H24N4/c1-13(2,17-8-6-14-7-9-17)11-15-10-12-4-3-5-16-12/h3-5,14-16H,6-11H2,1-2H3
InChIKeyIIRMYKBPVOGACH-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (PubChem CID 115255841) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
PubChem CID115255841
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H24N4/c1-13(2,17-8-6-14-7-9-17)11-15-10-12-4-3-5-16-12/h3-5,14-16H,6-11H2,1-2H3
InChIKeyIIRMYKBPVOGACH-UHFFFAOYSA-N
XLogP0.79
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Betahistine
CID 2366
2-Pyridinemethanamine
CID 19509
Tc-2216
CID 10176607
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
2-Methylpyrrole
CID 12489
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
2,4-Dimethylpyrrole
CID 39539
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
N-Phenyl-2-pyridinemethanamine
CID 78027
2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 345764
Piperazine, 2-pyridylethyl-
CID 566605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (CID 115255841) is 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is CC(C)(CNCc1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The InChIKey is IIRMYKBPVOGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,17-8-6-14-7-9-17)11-15-10-12-4-3-5-16-12/h3-5,14-16H,6-11H2,1-2H3.
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 115255841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).