cyclobutane-1,1,3-triamine

C4H11N3 — CID 59409075

IUPACcyclobutane-1,1,3-triamine
SMILESNC1CC(N)(N)C1
InChIInChI=1S/C4H11N3/c5-3-1-4(6,7)2-3/h3H,1-2,5-7H2
InChIKeyIPHKNVMNBLRROT-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.28
Rot. Bonds

About cyclobutane-1,1,3-triamine

cyclobutane-1,1,3-triamine (PubChem CID 59409075) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is cyclobutane-1,1,3-triamine.

Molecular Properties

Compound Namecyclobutane-1,1,3-triamine
PubChem CID59409075
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Namecyclobutane-1,1,3-triamine
SMILESNC1CC(N)(N)C1
InChIInChI=1S/C4H11N3/c5-3-1-4(6,7)2-3/h3H,1-2,5-7H2
InChIKeyIPHKNVMNBLRROT-UHFFFAOYSA-N
XLogP-1.28
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1,3-triamine?
The IUPAC name of cyclobutane-1,1,3-triamine (CID 59409075) is cyclobutane-1,1,3-triamine.
What is the SMILES notation for cyclobutane-1,1,3-triamine?
The canonical SMILES for cyclobutane-1,1,3-triamine is NC1CC(N)(N)C1.
What is the InChIKey of cyclobutane-1,1,3-triamine?
The InChIKey is IPHKNVMNBLRROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c5-3-1-4(6,7)2-3/h3H,1-2,5-7H2.
What are the key properties of cyclobutane-1,1,3-triamine?
cyclobutane-1,1,3-triamine has a molecular weight of 101.15 g/mol, XLogP of -1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1,3-triamine is sourced from PubChem (CID 59409075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).