3-azido-3-methylcyclobutan-1-amine

C5H10N4 — CID 150674806

IUPAC3-azido-3-methylcyclobutan-1-amine
SMILESCC1(N=[N+]=[N-])CC(N)C1
InChIInChI=1S/C5H10N4/c1-5(8-9-7)2-4(6)3-5/h4H,2-3,6H2,1H3
InChIKeyJGQITTYJTXMWBA-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.18
Rot. Bonds1

About 3-azido-3-methylcyclobutan-1-amine

3-azido-3-methylcyclobutan-1-amine (PubChem CID 150674806) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-azido-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-azido-3-methylcyclobutan-1-amine
PubChem CID150674806
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name3-azido-3-methylcyclobutan-1-amine
SMILESCC1(N=[N+]=[N-])CC(N)C1
InChIInChI=1S/C5H10N4/c1-5(8-9-7)2-4(6)3-5/h4H,2-3,6H2,1H3
InChIKeyJGQITTYJTXMWBA-UHFFFAOYSA-N
XLogP1.18
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-3-methylcyclobutan-1-amine?
The IUPAC name of 3-azido-3-methylcyclobutan-1-amine (CID 150674806) is 3-azido-3-methylcyclobutan-1-amine.
What is the SMILES notation for 3-azido-3-methylcyclobutan-1-amine?
The canonical SMILES for 3-azido-3-methylcyclobutan-1-amine is CC1(N=[N+]=[N-])CC(N)C1.
What is the InChIKey of 3-azido-3-methylcyclobutan-1-amine?
The InChIKey is JGQITTYJTXMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(8-9-7)2-4(6)3-5/h4H,2-3,6H2,1H3.
What are the key properties of 3-azido-3-methylcyclobutan-1-amine?
3-azido-3-methylcyclobutan-1-amine has a molecular weight of 126.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-3-methylcyclobutan-1-amine is sourced from PubChem (CID 150674806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).