2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine

C15H28N4 — CID 115230643

IUPAC2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CNCCCN1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C15H28N4/c1-15(2,14-4-6-17-12-14)13-18-5-3-9-19-10-7-16-8-11-19/h4,6,12,16-18H,3,5,7-11,13H2,1-2H3
InChIKeyQALVJETYGPTNKH-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.18
Rot. Bonds7

About 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine

2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine (PubChem CID 115230643) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
PubChem CID115230643
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CNCCCN1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C15H28N4/c1-15(2,14-4-6-17-12-14)13-18-5-3-9-19-10-7-16-8-11-19/h4,6,12,16-18H,3,5,7-11,13H2,1-2H3
InChIKeyQALVJETYGPTNKH-UHFFFAOYSA-N
XLogP1.18
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115238521
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(2-piperazin-1-ylethyl)-1H-pyrrol-3-amine
CID 115230284
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
3-methyl-N-propyl-3-(1H-pyrrol-3-yl)butan-1-amine
CID 79829614
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
CID 115247180
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116957135
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine (CID 115230643) is 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine is CC(C)(CNCCCN1CCNCC1)c1cc[nH]c1.
What is the InChIKey of 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is QALVJETYGPTNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(2,14-4-6-17-12-14)13-18-5-3-9-19-10-7-16-8-11-19/h4,6,12,16-18H,3,5,7-11,13H2,1-2H3.
What are the key properties of 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine?
2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 115230643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).