2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine

C14H31N3 — CID 63621256

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCN(C)C(CC)C1
InChIInChI=1S/C14H31N3/c1-5-7-14(3,11-15)12-17-9-8-16(4)13(6-2)10-17/h13H,5-12,15H2,1-4H3
InChIKeyRLBRHTWMNJNFLN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 63621256) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID63621256
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCN(C)C(CC)C1
InChIInChI=1S/C14H31N3/c1-5-7-14(3,11-15)12-17-9-8-16(4)13(6-2)10-17/h13H,5-12,15H2,1-4H3
InChIKeyRLBRHTWMNJNFLN-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine (CID 63621256) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CN1CCN(C)C(CC)C1.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is RLBRHTWMNJNFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-7-14(3,11-15)12-17-9-8-16(4)13(6-2)10-17/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 63621256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).