N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine

C10H18N4 — CID 174920939

IUPACN-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine
SMILESCNc1cc(N2CCN(C)CC2)c[nH]1
InChIInChI=1S/C10H18N4/c1-11-10-7-9(8-12-10)14-5-3-13(2)4-6-14/h7-8,11-12H,3-6H2,1-2H3
InChIKeyRDBQPLSCZZQSIC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.81
Rot. Bonds2

About N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine

N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine (PubChem CID 174920939) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine
PubChem CID174920939
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine
SMILESCNc1cc(N2CCN(C)CC2)c[nH]1
InChIInChI=1S/C10H18N4/c1-11-10-7-9(8-12-10)14-5-3-13(2)4-6-14/h7-8,11-12H,3-6H2,1-2H3
InChIKeyRDBQPLSCZZQSIC-UHFFFAOYSA-N
XLogP0.81
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
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1-(3,4-dimethylphenyl)-4-methylpiperazine
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CID 169360063
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
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1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
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N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine
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CID 102822638

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine (CID 174920939) is N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine is CNc1cc(N2CCN(C)CC2)c[nH]1.
What is the InChIKey of N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine?
The InChIKey is RDBQPLSCZZQSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-11-10-7-9(8-12-10)14-5-3-13(2)4-6-14/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine?
N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine has a molecular weight of 194.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 174920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).