3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine

C11H25N3 — CID 63610693

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
SMILESCCC1CN(C(C)C(C)N)CCN1C
InChIInChI=1S/C11H25N3/c1-5-11-8-14(7-6-13(11)4)10(3)9(2)12/h9-11H,5-8,12H2,1-4H3
InChIKeyPULFGSXCMZZXKQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds3

About 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine

3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine (PubChem CID 63610693) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
PubChem CID63610693
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
SMILESCCC1CN(C(C)C(C)N)CCN1C
InChIInChI=1S/C11H25N3/c1-5-11-8-14(7-6-13(11)4)10(3)9(2)12/h9-11H,5-8,12H2,1-4H3
InChIKeyPULFGSXCMZZXKQ-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine (CID 63610693) is 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine is CCC1CN(C(C)C(C)N)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine?
The InChIKey is PULFGSXCMZZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-11-8-14(7-6-13(11)4)10(3)9(2)12/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 63610693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).