N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C16H26N4 — CID 105073899

IUPACN-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cnccc2CNC2CC2)CC1C
InChIInChI=1S/C16H26N4/c1-3-19-8-9-20(12-13(19)2)16-11-17-7-6-14(16)10-18-15-4-5-15/h6-7,11,13,15,18H,3-5,8-10,12H2,1-2H3
InChIKeySVIWSGKBBYDWRW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105073899) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105073899
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cnccc2CNC2CC2)CC1C
InChIInChI=1S/C16H26N4/c1-3-19-8-9-20(12-13(19)2)16-11-17-7-6-14(16)10-18-15-4-5-15/h6-7,11,13,15,18H,3-5,8-10,12H2,1-2H3
InChIKeySVIWSGKBBYDWRW-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 63634984
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249841
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073298
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63620942
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105073899) is N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CCN1CCN(c2cnccc2CNC2CC2)CC1C.
What is the InChIKey of N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SVIWSGKBBYDWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-19-8-9-20(12-13(19)2)16-11-17-7-6-14(16)10-18-15-4-5-15/h6-7,11,13,15,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105073899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).