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

C15H28N4 — CID 115255800

IUPAC2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC(CNCC(C)(C)c1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C15H28N4/c1-13(19-9-7-16-8-10-19)11-17-12-15(2,3)14-5-4-6-18-14/h4-6,13,16-18H,7-12H2,1-3H3
InChIKeyDBUGHUWEUBQQQW-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.18
Rot. Bonds6

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

2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 115255800) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID115255800
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC(CNCC(C)(C)c1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C15H28N4/c1-13(19-9-7-16-8-10-19)11-17-12-15(2,3)14-5-4-6-18-14/h4-6,13,16-18H,7-12H2,1-3H3
InChIKeyDBUGHUWEUBQQQW-UHFFFAOYSA-N
XLogP1.18
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine
CID 115136357
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
CID 83890200
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
CID 115255619
3-[[2-methyl-2-(1H-pyrrol-2-yl)propyl]amino]propane-1-thiol
CID 115225335
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
N-[(5-bromothiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255698
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine (CID 115255800) is 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine is CC(CNCC(C)(C)c1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is DBUGHUWEUBQQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(19-9-7-16-8-10-19)11-17-12-15(2,3)14-5-4-6-18-14/h4-6,13,16-18H,7-12H2,1-3H3.
What are the key properties of 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine?
2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 115255800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).