2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine

C13H28N4 — CID 116946834

IUPAC2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(C(N)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C13H28N4/c1-13(2,17-8-5-15-6-9-17)12(14)11-4-7-16(3)10-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDOVBFQLPKVYINA-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.05
Rot. Bonds3

About 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine

2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946834) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
PubChem CID116946834
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(C(N)C(C)(C)N2CCNCC2)C1
InChIInChI=1S/C13H28N4/c1-13(2,17-8-5-15-6-9-17)12(14)11-4-7-16(3)10-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDOVBFQLPKVYINA-UHFFFAOYSA-N
XLogP-0.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
CID 116935927
2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946592
(1-methylpiperazin-2-yl)-(1-methylpyrrolidin-3-yl)methanamine
CID 116941333
2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946591
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
CID 79052643
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine
CID 116909723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine (CID 116946834) is 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine is CN1CCC(C(N)C(C)(C)N2CCNCC2)C1.
What is the InChIKey of 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine?
The InChIKey is DOVBFQLPKVYINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-13(2,17-8-5-15-6-9-17)12(14)11-4-7-16(3)10-11/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine?
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).