3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine

C14H23N3O — CID 65294827

IUPAC3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCc2cnc[nH]2)C12CCC2
InChIInChI=1S/C14H23N3O/c1-2-18-13-8-12(14(13)5-3-6-14)16-7-4-11-9-15-10-17-11/h9-10,12-13,16H,2-8H2,1H3,(H,15,17)
InChIKeyAFNFKRRITHDIKC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.89
Rot. Bonds6

About 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine (PubChem CID 65294827) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
PubChem CID65294827
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCc2cnc[nH]2)C12CCC2
InChIInChI=1S/C14H23N3O/c1-2-18-13-8-12(14(13)5-3-6-14)16-7-4-11-9-15-10-17-11/h9-10,12-13,16H,2-8H2,1H3,(H,15,17)
InChIKeyAFNFKRRITHDIKC-UHFFFAOYSA-N
XLogP1.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
CID 80685329
3-ethoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 104695163
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]spiro[3.4]octan-1-amine
CID 106395151
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethylthian-3-amine
CID 79948121
(1S,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044555
(1S,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044556
3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
CID 65294666
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
CID 75516201
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine (CID 65294827) is 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCCc2cnc[nH]2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine?
The InChIKey is AFNFKRRITHDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-13-8-12(14(13)5-3-6-14)16-7-4-11-9-15-10-17-11/h9-10,12-13,16H,2-8H2,1H3,(H,15,17).
What are the key properties of 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).