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

C16H23NO — CID 12717467

IUPACN,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCC1OC2(CCC(N(C)C)CC2)c2ccccc21
InChIInChI=1S/C16H23NO/c1-12-14-6-4-5-7-15(14)16(18-12)10-8-13(9-11-16)17(2)3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyCJPFUMSBUUBMBV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.48
Rot. Bonds1

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

N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717467) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717467
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCC1OC2(CCC(N(C)C)CC2)c2ccccc21
InChIInChI=1S/C16H23NO/c1-12-14-6-4-5-7-15(14)16(18-12)10-8-13(9-11-16)17(2)3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyCJPFUMSBUUBMBV-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717467) is N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CC1OC2(CCC(N(C)C)CC2)c2ccccc21.
What is the InChIKey of N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is CJPFUMSBUUBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-14-6-4-5-7-15(14)16(18-12)10-8-13(9-11-16)17(2)3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 245.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).