[2,3,4-tris(aminomethyl)cyclobutyl]methanamine

C8H20N4 — CID 141409932

IUPAC[2,3,4-tris(aminomethyl)cyclobutyl]methanamine
SMILESNCC1C(CN)C(CN)C1CN
InChIInChI=1S/C8H20N4/c9-1-5-6(2-10)8(4-12)7(5)3-11/h5-8H,1-4,9-12H2
InChIKeyZQOAIRGFZQHYAN-UHFFFAOYSA-N
MW172.28 g/mol
LogP-1.70
Rot. Bonds4

About [2,3,4-tris(aminomethyl)cyclobutyl]methanamine

[2,3,4-tris(aminomethyl)cyclobutyl]methanamine (PubChem CID 141409932) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is [2,3,4-tris(aminomethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2,3,4-tris(aminomethyl)cyclobutyl]methanamine
PubChem CID141409932
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name[2,3,4-tris(aminomethyl)cyclobutyl]methanamine
SMILESNCC1C(CN)C(CN)C1CN
InChIInChI=1S/C8H20N4/c9-1-5-6(2-10)8(4-12)7(5)3-11/h5-8H,1-4,9-12H2
InChIKeyZQOAIRGFZQHYAN-UHFFFAOYSA-N
XLogP-1.70
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,3,4-tris(aminomethyl)cyclobutyl]methanamine?
The IUPAC name of [2,3,4-tris(aminomethyl)cyclobutyl]methanamine (CID 141409932) is [2,3,4-tris(aminomethyl)cyclobutyl]methanamine.
What is the SMILES notation for [2,3,4-tris(aminomethyl)cyclobutyl]methanamine?
The canonical SMILES for [2,3,4-tris(aminomethyl)cyclobutyl]methanamine is NCC1C(CN)C(CN)C1CN.
What is the InChIKey of [2,3,4-tris(aminomethyl)cyclobutyl]methanamine?
The InChIKey is ZQOAIRGFZQHYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c9-1-5-6(2-10)8(4-12)7(5)3-11/h5-8H,1-4,9-12H2.
What are the key properties of [2,3,4-tris(aminomethyl)cyclobutyl]methanamine?
[2,3,4-tris(aminomethyl)cyclobutyl]methanamine has a molecular weight of 172.28 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tris(aminomethyl)cyclobutyl]methanamine is sourced from PubChem (CID 141409932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).