N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine

C18H33NO — CID 65168133

IUPACN-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCCCCC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-2-20-17-14-16(18(17)12-8-5-9-13-18)19-15-10-6-3-4-7-11-15/h15-17,19H,2-14H2,1H3
InChIKeyLRFHYWMWJHBMSS-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.43
Rot. Bonds4

About N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine

N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65168133) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65168133
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCCCCC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-2-20-17-14-16(18(17)12-8-5-9-13-18)19-15-10-6-3-4-7-11-15/h15-17,19H,2-14H2,1H3
InChIKeyLRFHYWMWJHBMSS-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
CID 103910972
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine (CID 65168133) is N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NC2CCCCCC2)C12CCCCC2.
What is the InChIKey of N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is LRFHYWMWJHBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-20-17-14-16(18(17)12-8-5-9-13-18)19-15-10-6-3-4-7-11-15/h15-17,19H,2-14H2,1H3.
What are the key properties of N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine?
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).