N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

C15H32N4 — CID 115255793

IUPACN-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CN(C)CCC1CCN(C)C1)N1CCNCC1
InChIInChI=1S/C15H32N4/c1-14(19-10-6-16-7-11-19)12-17(2)8-4-15-5-9-18(3)13-15/h14-16H,4-13H2,1-3H3
InChIKeyJBWBEEJGSXXUQP-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.55
Rot. Bonds6

About N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255793) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255793
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCC(CN(C)CCC1CCN(C)C1)N1CCNCC1
InChIInChI=1S/C15H32N4/c1-14(19-10-6-16-7-11-19)12-17(2)8-4-15-5-9-18(3)13-15/h14-16H,4-13H2,1-3H3
InChIKeyJBWBEEJGSXXUQP-UHFFFAOYSA-N
XLogP0.55
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255719
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (CID 115255793) is N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is CC(CN(C)CCC1CCN(C)C1)N1CCNCC1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is JBWBEEJGSXXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-14(19-10-6-16-7-11-19)12-17(2)8-4-15-5-9-18(3)13-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).