2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane

C12H23NO — CID 138616757

IUPAC2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)OCCCN1CC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)14-8-4-7-13-9-12(10-13)5-3-6-12/h11H,3-10H2,1-2H3
InChIKeyDWJLUYZCCAQTSH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds5

About 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane

2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane (PubChem CID 138616757) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
PubChem CID138616757
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)OCCCN1CC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2)14-8-4-7-13-9-12(10-13)5-3-6-12/h11H,3-10H2,1-2H3
InChIKeyDWJLUYZCCAQTSH-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 139506326
CID 139506326
CID 141659999
CID 141659999
CID 142524247
CID 142524247
CID 153336759
CID 153336759
CID 57979598
CID 57979598
CID 90165432
CID 90165432
CID 118974339
CID 118974339
CID 118974342
CID 118974342
CID 118974354
CID 118974354
CID 118974390
CID 118974390
CID 121400511
CID 121400511
CID 132040787
CID 132040787

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane (CID 138616757) is 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane is CC(C)OCCCN1CC2(CCC2)C1.
What is the InChIKey of 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The InChIKey is DWJLUYZCCAQTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)14-8-4-7-13-9-12(10-13)5-3-6-12/h11H,3-10H2,1-2H3.
What are the key properties of 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 138616757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).