but-1-ene;ethane;4-methylpiperazin-1-amine

C11H27N3 — CID 167513278

IUPACbut-1-ene;ethane;4-methylpiperazin-1-amine
SMILESC=CCC.CC.CN1CCN(N)CC1
InChIInChI=1S/C5H13N3.C4H8.C2H6/c1-7-2-4-8(6)5-3-7;1-3-4-2;1-2/h2-6H2,1H3;3H,1,4H2,2H3;1-2H3
InChIKeySXAIGKXFQZFHRA-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.72
Rot. Bonds1

About but-1-ene;ethane;4-methylpiperazin-1-amine

but-1-ene;ethane;4-methylpiperazin-1-amine (PubChem CID 167513278) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is but-1-ene;ethane;4-methylpiperazin-1-amine.

Molecular Properties

Compound Namebut-1-ene;ethane;4-methylpiperazin-1-amine
PubChem CID167513278
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Namebut-1-ene;ethane;4-methylpiperazin-1-amine
SMILESC=CCC.CC.CN1CCN(N)CC1
InChIInChI=1S/C5H13N3.C4H8.C2H6/c1-7-2-4-8(6)5-3-7;1-3-4-2;1-2/h2-6H2,1H3;3H,1,4H2,2H3;1-2H3
InChIKeySXAIGKXFQZFHRA-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;4-methylpiperazin-1-amine?
The IUPAC name of but-1-ene;ethane;4-methylpiperazin-1-amine (CID 167513278) is but-1-ene;ethane;4-methylpiperazin-1-amine.
What is the SMILES notation for but-1-ene;ethane;4-methylpiperazin-1-amine?
The canonical SMILES for but-1-ene;ethane;4-methylpiperazin-1-amine is C=CCC.CC.CN1CCN(N)CC1.
What is the InChIKey of but-1-ene;ethane;4-methylpiperazin-1-amine?
The InChIKey is SXAIGKXFQZFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.C4H8.C2H6/c1-7-2-4-8(6)5-3-7;1-3-4-2;1-2/h2-6H2,1H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;4-methylpiperazin-1-amine?
but-1-ene;ethane;4-methylpiperazin-1-amine has a molecular weight of 201.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;4-methylpiperazin-1-amine is sourced from PubChem (CID 167513278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).