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

C9H21N3 — CID 25219181

IUPAC3-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3
InChIKeyGHMGCKSGDXYVEE-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds3

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

3-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 25219181) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID25219181
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name3-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3
InChIKeyGHMGCKSGDXYVEE-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 3-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)butan-1-amine (CID 25219181) is 3-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)butan-1-amine is CC(CCN)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is GHMGCKSGDXYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)butan-1-amine?
3-(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 3-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 25219181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).