3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine

C16H31NO — CID 64863098

IUPAC3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)CC(C)C)C12CCCC2
InChIInChI=1S/C16H31NO/c1-5-18-15-11-14(16(15)8-6-7-9-16)17-13(4)10-12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyDQSNFHJVRHJIBU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds6

About 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine (PubChem CID 64863098) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
PubChem CID64863098
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)CC(C)C)C12CCCC2
InChIInChI=1S/C16H31NO/c1-5-18-15-11-14(16(15)8-6-7-9-16)17-13(4)10-12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyDQSNFHJVRHJIBU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
CID 113352135
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 65167790
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine (CID 64863098) is 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine is CCOC1CC(NC(C)CC(C)C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine?
The InChIKey is DQSNFHJVRHJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-18-15-11-14(16(15)8-6-7-9-16)17-13(4)10-12(2)3/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64863098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).