N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H26N4 — CID 63620942

IUPACN-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cccc(CNC3CC3)n2)CC1C
InChIInChI=1S/C16H26N4/c1-3-19-9-10-20(12-13(19)2)16-6-4-5-15(18-16)11-17-14-7-8-14/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyRPPMYAQQTALORB-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 63620942) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID63620942
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cccc(CNC3CC3)n2)CC1C
InChIInChI=1S/C16H26N4/c1-3-19-9-10-20(12-13(19)2)16-6-4-5-15(18-16)11-17-14-7-8-14/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyRPPMYAQQTALORB-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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 63620942) is N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCN1CCN(c2cccc(CNC3CC3)n2)CC1C.
What is the InChIKey of N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RPPMYAQQTALORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-19-9-10-20(12-13(19)2)16-6-4-5-15(18-16)11-17-14-7-8-14/h4-6,13-14,17H,3,7-12H2,1-2H3.
What are the key properties of N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-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-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 63620942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).