2-(2-azidopropan-2-yl)spiro[3.3]heptane

C10H17N3 — CID 131986673

IUPAC2-(2-azidopropan-2-yl)spiro[3.3]heptane
SMILESCC(C)(N=[N+]=[N-])C1CC2(CCC2)C1
InChIInChI=1S/C10H17N3/c1-9(2,12-13-11)8-6-10(7-8)4-3-5-10/h8H,3-7H2,1-2H3
InChIKeyCOLANXGCLSBVEI-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.66
Rot. Bonds2

About 2-(2-azidopropan-2-yl)spiro[3.3]heptane

2-(2-azidopropan-2-yl)spiro[3.3]heptane (PubChem CID 131986673) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(2-azidopropan-2-yl)spiro[3.3]heptane.

Molecular Properties

Compound Name2-(2-azidopropan-2-yl)spiro[3.3]heptane
PubChem CID131986673
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(2-azidopropan-2-yl)spiro[3.3]heptane
SMILESCC(C)(N=[N+]=[N-])C1CC2(CCC2)C1
InChIInChI=1S/C10H17N3/c1-9(2,12-13-11)8-6-10(7-8)4-3-5-10/h8H,3-7H2,1-2H3
InChIKeyCOLANXGCLSBVEI-UHFFFAOYSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.66
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 2-(2-azidopropan-2-yl)spiro[3.3]heptane?
The IUPAC name of 2-(2-azidopropan-2-yl)spiro[3.3]heptane (CID 131986673) is 2-(2-azidopropan-2-yl)spiro[3.3]heptane.
What is the SMILES notation for 2-(2-azidopropan-2-yl)spiro[3.3]heptane?
The canonical SMILES for 2-(2-azidopropan-2-yl)spiro[3.3]heptane is CC(C)(N=[N+]=[N-])C1CC2(CCC2)C1.
What is the InChIKey of 2-(2-azidopropan-2-yl)spiro[3.3]heptane?
The InChIKey is COLANXGCLSBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2,12-13-11)8-6-10(7-8)4-3-5-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-azidopropan-2-yl)spiro[3.3]heptane?
2-(2-azidopropan-2-yl)spiro[3.3]heptane has a molecular weight of 179.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidopropan-2-yl)spiro[3.3]heptane is sourced from PubChem (CID 131986673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).