1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane

C10H19N3 — CID 90130604

IUPAC1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane
SMILESCC1CC(CC(C)(C)CN=[N+]=[N-])C1
InChIInChI=1S/C10H19N3/c1-8-4-9(5-8)6-10(2,3)7-12-13-11/h8-9H,4-7H2,1-3H3
InChIKeyOUZWZKFYRQUXTF-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane

1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane (PubChem CID 90130604) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane
PubChem CID90130604
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane
SMILESCC1CC(CC(C)(C)CN=[N+]=[N-])C1
InChIInChI=1S/C10H19N3/c1-8-4-9(5-8)6-10(2,3)7-12-13-11/h8-9H,4-7H2,1-3H3
InChIKeyOUZWZKFYRQUXTF-UHFFFAOYSA-N
XLogP3.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane?
The IUPAC name of 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane (CID 90130604) is 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane.
What is the SMILES notation for 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane?
The canonical SMILES for 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane is CC1CC(CC(C)(C)CN=[N+]=[N-])C1.
What is the InChIKey of 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane?
The InChIKey is OUZWZKFYRQUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8-4-9(5-8)6-10(2,3)7-12-13-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane?
1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane has a molecular weight of 181.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane is sourced from PubChem (CID 90130604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).