2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine

C11H21NO — CID 65009357

IUPAC2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CC2(CCC2)C1
InChIInChI=1S/C11H21NO/c1-13-6-5-12-9-10-7-11(8-10)3-2-4-11/h10,12H,2-9H2,1H3
InChIKeyQPSSZAGNTJJSCZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine

2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine (PubChem CID 65009357) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
PubChem CID65009357
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CC2(CCC2)C1
InChIInChI=1S/C11H21NO/c1-13-6-5-12-9-10-7-11(8-10)3-2-4-11/h10,12H,2-9H2,1H3
InChIKeyQPSSZAGNTJJSCZ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19353678
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine
CID 114229896
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
2-(4-methoxybutoxy)spiro[3.3]heptane
CID 153330190

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine (CID 65009357) is 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine is COCCNCC1CC2(CCC2)C1.
What is the InChIKey of 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine?
The InChIKey is QPSSZAGNTJJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-6-5-12-9-10-7-11(8-10)3-2-4-11/h10,12H,2-9H2,1H3.
What are the key properties of 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine?
2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine is sourced from PubChem (CID 65009357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).