6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine

C11H21NO — CID 167274048

IUPAC6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
SMILESCOC1CC(NCC(C)C)C12CC2
InChIInChI=1S/C11H21NO/c1-8(2)7-12-9-6-10(13-3)11(9)4-5-11/h8-10,12H,4-7H2,1-3H3
InChIKeyAIVWOZBSDVVMRE-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds4

About 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine

6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine (PubChem CID 167274048) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
PubChem CID167274048
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
SMILESCOC1CC(NCC(C)C)C12CC2
InChIInChI=1S/C11H21NO/c1-8(2)7-12-9-6-10(13-3)11(9)4-5-11/h8-10,12H,4-7H2,1-3H3
InChIKeyAIVWOZBSDVVMRE-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The IUPAC name of 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine (CID 167274048) is 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine is COC1CC(NCC(C)C)C12CC2.
What is the InChIKey of 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The InChIKey is AIVWOZBSDVVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-12-9-6-10(13-3)11(9)4-5-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine has a molecular weight of 183.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine is sourced from PubChem (CID 167274048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).