2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

C16H35N3 — CID 55216025

IUPAC2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCN1CCN(CC(C)(CC)CNC(C)C)CC1C
InChIInChI=1S/C16H35N3/c1-7-16(6,12-17-14(3)4)13-18-9-10-19(8-2)15(5)11-18/h14-15,17H,7-13H2,1-6H3
InChIKeyHJARJEBAYMYVJI-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds7

About 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 55216025) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID55216025
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCN1CCN(CC(C)(CC)CNC(C)C)CC1C
InChIInChI=1S/C16H35N3/c1-7-16(6,12-17-14(3)4)13-18-9-10-19(8-2)15(5)11-18/h14-15,17H,7-13H2,1-6H3
InChIKeyHJARJEBAYMYVJI-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (CID 55216025) is 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is CCN1CCN(CC(C)(CC)CNC(C)C)CC1C.
What is the InChIKey of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HJARJEBAYMYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-16(6,12-17-14(3)4)13-18-9-10-19(8-2)15(5)11-18/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55216025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).