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

C17H31NO — CID 102951932

IUPACN-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
SMILESC1CCC(OCCNC2CCC23CCCCC3)CC1
InChIInChI=1S/C17H31NO/c1-3-7-15(8-4-1)19-14-13-18-16-9-12-17(16)10-5-2-6-11-17/h15-16,18H,1-14H2
InChIKeyASTYKZMZPGXQBW-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds5

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

N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine (PubChem CID 102951932) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
PubChem CID102951932
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
SMILESC1CCC(OCCNC2CCC23CCCCC3)CC1
InChIInChI=1S/C17H31NO/c1-3-7-15(8-4-1)19-14-13-18-16-9-12-17(16)10-5-2-6-11-17/h15-16,18H,1-14H2
InChIKeyASTYKZMZPGXQBW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
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

2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate
CID 102952283
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63828343
N-(2-cyclohexyloxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927034
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine (CID 102951932) is N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine is C1CCC(OCCNC2CCC23CCCCC3)CC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine?
The InChIKey is ASTYKZMZPGXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-7-15(8-4-1)19-14-13-18-16-9-12-17(16)10-5-2-6-11-17/h15-16,18H,1-14H2.
What are the key properties of N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine?
N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).