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

C9H21N3 — CID 16783170

IUPAC2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCCC(CN)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3
InChIKeyIOUVVJBTUSNJTA-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 16783170) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID16783170
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCCC(CN)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3
InChIKeyIOUVVJBTUSNJTA-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)butan-1-amine (CID 16783170) is 2-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)butan-1-amine is CCC(CN)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is IOUVVJBTUSNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)butan-1-amine?
2-(4-methylpiperazin-1-yl)butan-1-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 16783170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).