N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine

C13H24N4 — CID 116960921

IUPACN-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C13H24N4/c1-11(17-7-5-15-6-8-17)9-13(14-2)12-3-4-16-10-12/h3-4,10-11,13-16H,5-9H2,1-2H3
InChIKeyPFJXVUGFWBJZNF-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.96
Rot. Bonds5

About N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine

N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine (PubChem CID 116960921) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
PubChem CID116960921
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C13H24N4/c1-11(17-7-5-15-6-8-17)9-13(14-2)12-3-4-16-10-12/h3-4,10-11,13-16H,5-9H2,1-2H3
InChIKeyPFJXVUGFWBJZNF-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116957135
1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
CID 116960927
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
CID 116960914
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605
N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
CID 115255619
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780
3-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]butan-1-amine
CID 115255519
2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
CID 82283979
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The IUPAC name of N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine (CID 116960921) is N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine is CNC(CC(C)N1CCNCC1)c1cc[nH]c1.
What is the InChIKey of N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The InChIKey is PFJXVUGFWBJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(17-7-5-15-6-8-17)9-13(14-2)12-3-4-16-10-12/h3-4,10-11,13-16H,5-9H2,1-2H3.
What are the key properties of N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine is sourced from PubChem (CID 116960921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).