2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine

C16H35N3 — CID 60761134

IUPAC2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
SMILESCCC(CC)CNCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(7-2)12-17-13-16(14(3)4)19-10-8-18(5)9-11-19/h14-17H,6-13H2,1-5H3
InChIKeyJUCQUTPPDSZDMQ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds8

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

2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine (PubChem CID 60761134) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
PubChem CID60761134
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
SMILESCCC(CC)CNCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(7-2)12-17-13-16(14(3)4)19-10-8-18(5)9-11-19/h14-17H,6-13H2,1-5H3
InChIKeyJUCQUTPPDSZDMQ-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine (CID 60761134) is 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine is CCC(CC)CNCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine?
The InChIKey is JUCQUTPPDSZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-15(7-2)12-17-13-16(14(3)4)19-10-8-18(5)9-11-19/h14-17H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine?
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine is sourced from PubChem (CID 60761134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).