2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine

C16H35N3 — CID 55056208

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H35N3/c1-7-16(8-2,13-17-6)14-18-9-11-19(12-10-18)15(3,4)5/h17H,7-14H2,1-6H3
InChIKeyCACPTHDYPWRWIP-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds6

About 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 55056208) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID55056208
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H35N3/c1-7-16(8-2,13-17-6)14-18-9-11-19(12-10-18)15(3,4)5/h17H,7-14H2,1-6H3
InChIKeyCACPTHDYPWRWIP-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 55056208) is 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is CACPTHDYPWRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-16(8-2,13-17-6)14-18-9-11-19(12-10-18)15(3,4)5/h17H,7-14H2,1-6H3.
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 55056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).