[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine

C15H33N3 — CID 114868447

IUPAC[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCC(C)CC(CC(C)C)N1CCN(C)CC1CN
InChIInChI=1S/C15H33N3/c1-12(2)8-14(9-13(3)4)18-7-6-17(5)11-15(18)10-16/h12-15H,6-11,16H2,1-5H3
InChIKeyOQIJITGTUTWSMH-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.02
Rot. Bonds6

About [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine

[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 114868447) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID114868447
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCC(C)CC(CC(C)C)N1CCN(C)CC1CN
InChIInChI=1S/C15H33N3/c1-12(2)8-14(9-13(3)4)18-7-6-17(5)11-15(18)10-16/h12-15H,6-11,16H2,1-5H3
InChIKeyOQIJITGTUTWSMH-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine (CID 114868447) is [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine is CC(C)CC(CC(C)C)N1CCN(C)CC1CN.
What is the InChIKey of [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is OQIJITGTUTWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(2)8-14(9-13(3)4)18-7-6-17(5)11-15(18)10-16/h12-15H,6-11,16H2,1-5H3.
What are the key properties of [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 255.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 114868447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).