N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

C16H26N4 — CID 81248099

IUPACN-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H26N4/c1-3-17-11-14-12-18-13(2)10-16(14)20-8-6-19(7-9-20)15-4-5-15/h10,12,15,17H,3-9,11H2,1-2H3
InChIKeyLPTCYWPGQZXGND-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.78
Rot. Bonds5

About N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81248099) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81248099
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H26N4/c1-3-17-11-14-12-18-13(2)10-16(14)20-8-6-19(7-9-20)15-4-5-15/h10,12,15,17H,3-9,11H2,1-2H3
InChIKeyLPTCYWPGQZXGND-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81248099) is N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1N1CCN(C2CC2)CC1.
What is the InChIKey of N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is LPTCYWPGQZXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-11-14-12-18-13(2)10-16(14)20-8-6-19(7-9-20)15-4-5-15/h10,12,15,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81248099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).