N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C16H26N4 — CID 62283972

IUPACN-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)N1CCN(c2cc(CNC3CC3)ccn2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)19-7-9-20(10-8-19)16-11-14(5-6-17-16)12-18-15-3-4-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyXWUFOXDMXUBLFQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 62283972) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID62283972
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)N1CCN(c2cc(CNC3CC3)ccn2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)19-7-9-20(10-8-19)16-11-14(5-6-17-16)12-18-15-3-4-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyXWUFOXDMXUBLFQ-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-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 62283972) is N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CC(C)N1CCN(c2cc(CNC3CC3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XWUFOXDMXUBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)19-7-9-20(10-8-19)16-11-14(5-6-17-16)12-18-15-3-4-15/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4-propan-2-ylpiperazin-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-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62283972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).