3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C17H34N2O — CID 65167790

IUPAC3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCOC1CC(NC(C)CCN(C)C)C12CCCCC2
InChIInChI=1S/C17H34N2O/c1-5-20-16-13-15(17(16)10-7-6-8-11-17)18-14(2)9-12-19(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyCDKUNQGBDSQWTA-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds7

About 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 65167790) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID65167790
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCOC1CC(NC(C)CCN(C)C)C12CCCCC2
InChIInChI=1S/C17H34N2O/c1-5-20-16-13-15(17(16)10-7-6-8-11-17)18-14(2)9-12-19(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyCDKUNQGBDSQWTA-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
CID 113352135
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
CID 65169180
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 65167790) is 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CCOC1CC(NC(C)CCN(C)C)C12CCCCC2.
What is the InChIKey of 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is CDKUNQGBDSQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-20-16-13-15(17(16)10-7-6-8-11-17)18-14(2)9-12-19(3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 65167790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).