(2-methoxyspiro[2.4]heptan-1-yl)methanamine

C9H17NO — CID 102547918

IUPAC(2-methoxyspiro[2.4]heptan-1-yl)methanamine
SMILESCOC1C(CN)C12CCCC2
InChIInChI=1S/C9H17NO/c1-11-8-7(6-10)9(8)4-2-3-5-9/h7-8H,2-6,10H2,1H3
InChIKeyMEDKCUAIQWENAF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds2

About (2-methoxyspiro[2.4]heptan-1-yl)methanamine

(2-methoxyspiro[2.4]heptan-1-yl)methanamine (PubChem CID 102547918) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2-methoxyspiro[2.4]heptan-1-yl)methanamine.

Molecular Properties

Compound Name(2-methoxyspiro[2.4]heptan-1-yl)methanamine
PubChem CID102547918
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2-methoxyspiro[2.4]heptan-1-yl)methanamine
SMILESCOC1C(CN)C12CCCC2
InChIInChI=1S/C9H17NO/c1-11-8-7(6-10)9(8)4-2-3-5-9/h7-8H,2-6,10H2,1H3
InChIKeyMEDKCUAIQWENAF-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methoxyspiro[2.4]heptan-1-yl)methanamine 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 (2-methoxyspiro[2.4]heptan-1-yl)methanamine?
The IUPAC name of (2-methoxyspiro[2.4]heptan-1-yl)methanamine (CID 102547918) is (2-methoxyspiro[2.4]heptan-1-yl)methanamine.
What is the SMILES notation for (2-methoxyspiro[2.4]heptan-1-yl)methanamine?
The canonical SMILES for (2-methoxyspiro[2.4]heptan-1-yl)methanamine is COC1C(CN)C12CCCC2.
What is the InChIKey of (2-methoxyspiro[2.4]heptan-1-yl)methanamine?
The InChIKey is MEDKCUAIQWENAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-8-7(6-10)9(8)4-2-3-5-9/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-methoxyspiro[2.4]heptan-1-yl)methanamine?
(2-methoxyspiro[2.4]heptan-1-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyspiro[2.4]heptan-1-yl)methanamine is sourced from PubChem (CID 102547918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).