2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine

C14H30N4 — CID 83015474

IUPAC2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCN1CCN(N2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C14H30N4/c1-14(2,3)15-11-13-5-6-18(12-13)17-9-7-16(4)8-10-17/h13,15H,5-12H2,1-4H3
InChIKeyZPAHYKOIILVNDD-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.86
Rot. Bonds3

About 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 83015474) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID83015474
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCN1CCN(N2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C14H30N4/c1-14(2,3)15-11-13-5-6-18(12-13)17-9-7-16(4)8-10-17/h13,15H,5-12H2,1-4H3
InChIKeyZPAHYKOIILVNDD-UHFFFAOYSA-N
XLogP0.86
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(1-methylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513098
2-methyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
CID 162784925
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83114352
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
2-methyl-N-[[1-(1-methylcyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 64689210
N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 83015474) is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine is CN1CCN(N2CCC(CNC(C)(C)C)C2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is ZPAHYKOIILVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-14(2,3)15-11-13-5-6-18(12-13)17-9-7-16(4)8-10-17/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83015474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).