(4-butylpiperazin-2-yl)methanamine

C9H21N3 — CID 117026802

IUPAC(4-butylpiperazin-2-yl)methanamine
SMILESCCCCN1CCNC(CN)C1
InChIInChI=1S/C9H21N3/c1-2-3-5-12-6-4-11-9(7-10)8-12/h9,11H,2-8,10H2,1H3
InChIKeyHTIULADMRYLGEN-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.02
Rot. Bonds4

About (4-butylpiperazin-2-yl)methanamine

(4-butylpiperazin-2-yl)methanamine (PubChem CID 117026802) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (4-butylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-butylpiperazin-2-yl)methanamine
PubChem CID117026802
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(4-butylpiperazin-2-yl)methanamine
SMILESCCCCN1CCNC(CN)C1
InChIInChI=1S/C9H21N3/c1-2-3-5-12-6-4-11-9(7-10)8-12/h9,11H,2-8,10H2,1H3
InChIKeyHTIULADMRYLGEN-UHFFFAOYSA-N
XLogP0.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-2-yl)methanamine?
The IUPAC name of (4-butylpiperazin-2-yl)methanamine (CID 117026802) is (4-butylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-butylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-butylpiperazin-2-yl)methanamine is CCCCN1CCNC(CN)C1.
What is the InChIKey of (4-butylpiperazin-2-yl)methanamine?
The InChIKey is HTIULADMRYLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-2-3-5-12-6-4-11-9(7-10)8-12/h9,11H,2-8,10H2,1H3.
What are the key properties of (4-butylpiperazin-2-yl)methanamine?
(4-butylpiperazin-2-yl)methanamine has a molecular weight of 171.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-2-yl)methanamine is sourced from PubChem (CID 117026802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).