N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine

C15H21NO — CID 13233625

IUPACN-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine
SMILESCNCC1CCCCC12Cc1ccccc1O2
InChIInChI=1S/C15H21NO/c1-16-11-13-7-4-5-9-15(13)10-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3
InChIKeyMXRKYEGPFKGGCX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine

N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine (PubChem CID 13233625) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine
PubChem CID13233625
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine
SMILESCNCC1CCCCC12Cc1ccccc1O2
InChIInChI=1S/C15H21NO/c1-16-11-13-7-4-5-9-15(13)10-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3
InChIKeyMXRKYEGPFKGGCX-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine?
The IUPAC name of N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine (CID 13233625) is N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine.
What is the SMILES notation for N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine?
The canonical SMILES for N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine is CNCC1CCCCC12Cc1ccccc1O2.
What is the InChIKey of N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine?
The InChIKey is MXRKYEGPFKGGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-11-13-7-4-5-9-15(13)10-12-6-2-3-8-14(12)17-15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3.
What are the key properties of N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine?
N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine is sourced from PubChem (CID 13233625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).