N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C15H26N4 — CID 80628155

IUPACN-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCN(C)CC1
InChIInChI=1S/C15H26N4/c1-12(2)16-10-14-9-13(3)15(17-11-14)19-7-5-18(4)6-8-19/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyDRKHWZSMDCFDAG-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.64
Rot. Bonds4

About N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80628155) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID80628155
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCN(C)CC1
InChIInChI=1S/C15H26N4/c1-12(2)16-10-14-9-13(3)15(17-11-14)19-7-5-18(4)6-8-19/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyDRKHWZSMDCFDAG-UHFFFAOYSA-N
XLogP1.64
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 80628155) is N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1N1CCN(C)CC1.
What is the InChIKey of N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is DRKHWZSMDCFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)16-10-14-9-13(3)15(17-11-14)19-7-5-18(4)6-8-19/h9,11-12,16H,5-8,10H2,1-4H3.
What are the key properties of N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80628155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).