N-(2-methoxyethyl)spiro[3.5]nonan-3-amine

C12H23NO — CID 102951132

IUPACN-(2-methoxyethyl)spiro[3.5]nonan-3-amine
SMILESCOCCNC1CCC12CCCCC2
InChIInChI=1S/C12H23NO/c1-14-10-9-13-11-5-8-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyZRUCLJDIHTUXMD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds4

About N-(2-methoxyethyl)spiro[3.5]nonan-3-amine

N-(2-methoxyethyl)spiro[3.5]nonan-3-amine (PubChem CID 102951132) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)spiro[3.5]nonan-3-amine
PubChem CID102951132
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methoxyethyl)spiro[3.5]nonan-3-amine
SMILESCOCCNC1CCC12CCCCC2
InChIInChI=1S/C12H23NO/c1-14-10-9-13-11-5-8-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyZRUCLJDIHTUXMD-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
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

N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
N-(oxetan-3-ylmethyl)spiro[3.5]nonan-2-amine
CID 137956347
Cyclobutanemethanamine, 1-decyl-N-(2-methoxyethyl)-
CID 65196627
4,4-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65803439
2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 79872023
3,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 81564315
N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951933
N-[2-(2,2-difluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
CID 114127386
[(1-Fluorocyclohexyl)methyl](1-methoxypropan-2-yl)amine
CID 126847945
N-(2-methoxyethyl)-4-methylcyclohexan-1-amine
CID 2849478
N-(1-methoxypropan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 13090556
2-cyclohexyl-N-(2-methoxyethyl)ethanamine
CID 20699943

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(2-methoxyethyl)spiro[3.5]nonan-3-amine (CID 102951132) is N-(2-methoxyethyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)spiro[3.5]nonan-3-amine is COCCNC1CCC12CCCCC2.
What is the InChIKey of N-(2-methoxyethyl)spiro[3.5]nonan-3-amine?
The InChIKey is ZRUCLJDIHTUXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-10-9-13-11-5-8-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)spiro[3.5]nonan-3-amine?
N-(2-methoxyethyl)spiro[3.5]nonan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).