N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C17H25NO — CID 20562141

IUPACN,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCCN(CC)C1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C17H25NO/c1-3-18(4-2)15-9-11-17(12-10-15)16-8-6-5-7-14(16)13-19-17/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyCGPOIRCEKUTGFT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds3

About N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 20562141) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID20562141
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCCN(CC)C1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C17H25NO/c1-3-18(4-2)15-9-11-17(12-10-15)16-8-6-5-7-14(16)13-19-17/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyCGPOIRCEKUTGFT-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Blarcamesine
CID 9882189
Deptropine
CID 203911
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
CID 16576
Talopram
CID 23573
(3-Exo)-3-(10,11-dihydro-5H-dibenzo(A,D)(7)annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane
CID 21124461
Blarcamesine Hydrochloride
CID 46932299
Talopram Hydrochloride
CID 71176
1''-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10019485
1''-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10041768
1''-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10245905
1''-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10315820
1''-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10359602

Frequently Asked Questions

What is the IUPAC name of N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 20562141) is N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CCN(CC)C1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is CGPOIRCEKUTGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18(4-2)15-9-11-17(12-10-15)16-8-6-5-7-14(16)13-19-17/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 259.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 20562141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).