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

C13H25NO — CID 102951478

IUPACN-(2-ethoxyethyl)spiro[3.5]nonan-3-amine
SMILESCCOCCNC1CCC12CCCCC2
InChIInChI=1S/C13H25NO/c1-2-15-11-10-14-12-6-9-13(12)7-4-3-5-8-13/h12,14H,2-11H2,1H3
InChIKeyOJBDGDYBAOUUJP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds5

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

N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine (PubChem CID 102951478) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)spiro[3.5]nonan-3-amine
PubChem CID102951478
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-ethoxyethyl)spiro[3.5]nonan-3-amine
SMILESCCOCCNC1CCC12CCCCC2
InChIInChI=1S/C13H25NO/c1-2-15-11-10-14-12-6-9-13(12)7-4-3-5-8-13/h12,14H,2-11H2,1H3
InChIKeyOJBDGDYBAOUUJP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
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
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733032
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63776665
4-(2-methylbutan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63826940
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64416607
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64468718
Cyclobutanemethanamine, 1-decyl-N-(2-methoxyethyl)-
CID 65196627
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 79835912
N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951933
2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine
CID 102977828
N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 102978139
N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080975

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine (CID 102951478) is N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine is CCOCCNC1CCC12CCCCC2.
What is the InChIKey of N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine?
The InChIKey is OJBDGDYBAOUUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-15-11-10-14-12-6-9-13(12)7-4-3-5-8-13/h12,14H,2-11H2,1H3.
What are the key properties of N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine?
N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).