N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C16H26N4 — CID 80636296

IUPACN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCN(C)C(C)C1
InChIInChI=1S/C16H26N4/c1-12-8-14(9-17-15-4-5-15)10-18-16(12)20-7-6-19(3)13(2)11-20/h8,10,13,15,17H,4-7,9,11H2,1-3H3
InChIKeyZBQQOAXYPXGVLY-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.78
Rot. Bonds4

About N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80636296) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80636296
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCN(C)C(C)C1
InChIInChI=1S/C16H26N4/c1-12-8-14(9-17-15-4-5-15)10-18-16(12)20-7-6-19(3)13(2)11-20/h8,10,13,15,17H,4-7,9,11H2,1-3H3
InChIKeyZBQQOAXYPXGVLY-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Pyridyl)piperazine
CID 94459
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265828
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476
1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
CID 667618
1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11218492
N''-cyano-N-(3-(4-(pyridin-2-yl)piperazin-1-yl)propyl)isonicotinamidine
CID 46861872
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
CID 2741632

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80636296) is N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1N1CCN(C)C(C)C1.
What is the InChIKey of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZBQQOAXYPXGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-8-14(9-17-15-4-5-15)10-18-16(12)20-7-6-19(3)13(2)11-20/h8,10,13,15,17H,4-7,9,11H2,1-3H3.
What are the key properties of N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80636296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).