3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine

C11H25N3 — CID 163670238

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine
SMILESCC(C)C(C)NCCN1CCNCC1
InChIInChI=1S/C11H25N3/c1-10(2)11(3)13-6-9-14-7-4-12-5-8-14/h10-13H,4-9H2,1-3H3
InChIKeyJBXDGOLKDNXSSX-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.53
Rot. Bonds5

About 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine

3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine (PubChem CID 163670238) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine
PubChem CID163670238
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine
SMILESCC(C)C(C)NCCN1CCNCC1
InChIInChI=1S/C11H25N3/c1-10(2)11(3)13-6-9-14-7-4-12-5-8-14/h10-13H,4-9H2,1-3H3
InChIKeyJBXDGOLKDNXSSX-UHFFFAOYSA-N
XLogP0.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine (CID 163670238) is 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine is CC(C)C(C)NCCN1CCNCC1.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
The InChIKey is JBXDGOLKDNXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2)11(3)13-6-9-14-7-4-12-5-8-14/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine?
3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)butan-2-amine is sourced from PubChem (CID 163670238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).