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

C11H21NO — CID 167273955

IUPAC(4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
SMILESCO[C@@H]1C[C@H](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/t9-,10+/m0/s1
InChIKeyAIVWOZBSDVVMRE-VHSXEESVSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds4

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

(4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine (PubChem CID 167273955) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine.

Molecular Properties

Compound Name(4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
PubChem CID167273955
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine
SMILESCO[C@@H]1C[C@H](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/t9-,10+/m0/s1
InChIKeyAIVWOZBSDVVMRE-VHSXEESVSA-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

Analyze (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The IUPAC name of (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine (CID 167273955) is (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine.
What is the SMILES notation for (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The canonical SMILES for (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine is CO[C@@H]1C[C@H](NCC(C)C)C12CC2.
What is the InChIKey of (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
The InChIKey is AIVWOZBSDVVMRE-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine?
(4S,6R)-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 (4S,6R)-6-methoxy-N-(2-methylpropyl)spiro[2.3]hexan-4-amine is sourced from PubChem (CID 167273955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).