N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine

C18H33NO — CID 81395147

IUPACN-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(N[C@H](C)C2CCCC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-3-20-17-13-16(18(17)11-7-4-8-12-18)19-14(2)15-9-5-6-10-15/h14-17,19H,3-13H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyFSVRJODHPNZLST-ODIFPOPNSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds5

About N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine

N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 81395147) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID81395147
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(N[C@H](C)C2CCCC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-3-20-17-13-16(18(17)11-7-4-8-12-18)19-14(2)15-9-5-6-10-15/h14-17,19H,3-13H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyFSVRJODHPNZLST-ODIFPOPNSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine (CID 81395147) is N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(N[C@H](C)C2CCCC2)C12CCCCC2.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is FSVRJODHPNZLST-ODIFPOPNSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-20-17-13-16(18(17)11-7-4-8-12-18)19-14(2)15-9-5-6-10-15/h14-17,19H,3-13H2,1-2H3/t14-,16?,17?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine?
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 81395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).