N-propan-2-yloxyspiro[3.4]octan-8-amine

C11H21NO — CID 131048795

IUPACN-propan-2-yloxyspiro[3.4]octan-8-amine
SMILESCC(C)ONC1CCCC12CCC2
InChIInChI=1S/C11H21NO/c1-9(2)13-12-10-5-3-6-11(10)7-4-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeySTVXNYZEIHAVMJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.64
Rot. Bonds3

About N-propan-2-yloxyspiro[3.4]octan-8-amine

N-propan-2-yloxyspiro[3.4]octan-8-amine (PubChem CID 131048795) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is N-propan-2-yloxyspiro[3.4]octan-8-amine.

Molecular Properties

Compound NameN-propan-2-yloxyspiro[3.4]octan-8-amine
PubChem CID131048795
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC NameN-propan-2-yloxyspiro[3.4]octan-8-amine
SMILESCC(C)ONC1CCCC12CCC2
InChIInChI=1S/C11H21NO/c1-9(2)13-12-10-5-3-6-11(10)7-4-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeySTVXNYZEIHAVMJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxyspiro[3.4]octan-8-amine?
The IUPAC name of N-propan-2-yloxyspiro[3.4]octan-8-amine (CID 131048795) is N-propan-2-yloxyspiro[3.4]octan-8-amine.
What is the SMILES notation for N-propan-2-yloxyspiro[3.4]octan-8-amine?
The canonical SMILES for N-propan-2-yloxyspiro[3.4]octan-8-amine is CC(C)ONC1CCCC12CCC2.
What is the InChIKey of N-propan-2-yloxyspiro[3.4]octan-8-amine?
The InChIKey is STVXNYZEIHAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)13-12-10-5-3-6-11(10)7-4-8-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yloxyspiro[3.4]octan-8-amine?
N-propan-2-yloxyspiro[3.4]octan-8-amine has a molecular weight of 183.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxyspiro[3.4]octan-8-amine is sourced from PubChem (CID 131048795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).