1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine

C19H28N2O — CID 66821868

IUPAC1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)CC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C19H28N2O/c1-20(2)14-15-6-7-18-16(12-15)13-19(22-18)8-10-21(11-9-19)17-4-3-5-17/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyMHWHXJXOYPUXKM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.07
Rot. Bonds3

About 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine

1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine (PubChem CID 66821868) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
PubChem CID66821868
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)CC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C19H28N2O/c1-20(2)14-15-6-7-18-16(12-15)13-19(22-18)8-10-21(11-9-19)17-4-3-5-17/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyMHWHXJXOYPUXKM-UHFFFAOYSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine (CID 66821868) is 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine is CN(C)Cc1ccc2c(c1)CC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine?
The InChIKey is MHWHXJXOYPUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20(2)14-15-6-7-18-16(12-15)13-19(22-18)8-10-21(11-9-19)17-4-3-5-17/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine?
1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine has a molecular weight of 300.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 66821868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).