3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine

C15H29NO — CID 65294896

IUPAC3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)CC(C)C)C12CCC2
InChIInChI=1S/C15H29NO/c1-5-17-14-10-13(15(14)7-6-8-15)16-12(4)9-11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyPMKSDBDOKOXSKI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine (PubChem CID 65294896) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
PubChem CID65294896
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)CC(C)C)C12CCC2
InChIInChI=1S/C15H29NO/c1-5-17-14-10-13(15(14)7-6-8-15)16-12(4)9-11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyPMKSDBDOKOXSKI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
(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
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
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
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431
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
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine (CID 65294896) is 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine is CCOC1CC(NC(C)CC(C)C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine?
The InChIKey is PMKSDBDOKOXSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-17-14-10-13(15(14)7-6-8-15)16-12(4)9-11(2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 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[3.3]heptan-1-amine is sourced from PubChem (CID 65294896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).