4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine

C14H31N3 — CID 64931512

IUPAC4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC1CNCCN1CCCCN(C)C(C)C
InChIInChI=1S/C14H31N3/c1-5-14-12-15-8-11-17(14)10-7-6-9-16(4)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyPLVRFNQQGPUDFK-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine

4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64931512) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64931512
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC1CNCCN1CCCCN(C)C(C)C
InChIInChI=1S/C14H31N3/c1-5-14-12-15-8-11-17(14)10-7-6-9-16(4)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyPLVRFNQQGPUDFK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine (CID 64931512) is 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine is CCC1CNCCN1CCCCN(C)C(C)C.
What is the InChIKey of 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is PLVRFNQQGPUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14-12-15-8-11-17(14)10-7-6-9-16(4)13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64931512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).