2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine

C17H37N3 — CID 63635481

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)CN1CCN(C)C(C)C1
InChIInChI=1S/C17H37N3/c1-7-17(8-2,13-18-11-15(3)4)14-20-10-9-19(6)16(5)12-20/h15-16,18H,7-14H2,1-6H3
InChIKeyZHHAXSPBSYXDPY-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds8

About 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine

2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63635481) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63635481
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)CN1CCN(C)C(C)C1
InChIInChI=1S/C17H37N3/c1-7-17(8-2,13-18-11-15(3)4)14-20-10-9-19(6)16(5)12-20/h15-16,18H,7-14H2,1-6H3
InChIKeyZHHAXSPBSYXDPY-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 63635481) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCC(CC)(CNCC(C)C)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZHHAXSPBSYXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-17(8-2,13-18-11-15(3)4)14-20-10-9-19(6)16(5)12-20/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63635481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).