3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine

C17H31NO — CID 64864056

IUPAC3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2(C)CCCC2)C12CCCC2
InChIInChI=1S/C17H31NO/c1-3-19-15-12-14(17(15)10-6-7-11-17)18-13-16(2)8-4-5-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyWTCKZXZFABDLKG-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds5

About 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine (PubChem CID 64864056) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
PubChem CID64864056
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2(C)CCCC2)C12CCCC2
InChIInChI=1S/C17H31NO/c1-3-19-15-12-14(17(15)10-6-7-11-17)18-13-16(2)8-4-5-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyWTCKZXZFABDLKG-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103922024
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine (CID 64864056) is 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCC2(C)CCCC2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is WTCKZXZFABDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-19-15-12-14(17(15)10-6-7-11-17)18-13-16(2)8-4-5-9-16/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).