cyclobutane-1,3-diamine

C4H10N2 — CID 22022636

IUPACcyclobutane-1,3-diamine
SMILESNC1CC(N)C1
InChIInChI=1S/C4H10N2/c5-3-1-4(6)2-3/h3-4H,1-2,5-6H2
InChIKeyUYLSVYARXBFEKV-UHFFFAOYSA-N
MW86.14 g/mol
LogP-0.57
Rot. Bonds

About cyclobutane-1,3-diamine

cyclobutane-1,3-diamine (PubChem CID 22022636) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is cyclobutane-1,3-diamine.

Molecular Properties

Compound Namecyclobutane-1,3-diamine
PubChem CID22022636
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Namecyclobutane-1,3-diamine
SMILESNC1CC(N)C1
InChIInChI=1S/C4H10N2/c5-3-1-4(6)2-3/h3-4H,1-2,5-6H2
InChIKeyUYLSVYARXBFEKV-UHFFFAOYSA-N
XLogP-0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,3-diamine?
The IUPAC name of cyclobutane-1,3-diamine (CID 22022636) is cyclobutane-1,3-diamine.
What is the SMILES notation for cyclobutane-1,3-diamine?
The canonical SMILES for cyclobutane-1,3-diamine is NC1CC(N)C1.
What is the InChIKey of cyclobutane-1,3-diamine?
The InChIKey is UYLSVYARXBFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c5-3-1-4(6)2-3/h3-4H,1-2,5-6H2.
What are the key properties of cyclobutane-1,3-diamine?
cyclobutane-1,3-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,3-diamine is sourced from PubChem (CID 22022636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).