N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine

C15H21NO — CID 18598081

IUPACN,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine
SMILESCN(C)C[C@H]1CCC[C@]12Cc1ccccc1O2
InChIInChI=1S/C15H21NO/c1-16(2)11-13-7-5-9-15(13)10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13H,5,7,9-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyVWKVSEUPVNPSMG-HIFRSBDPSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds2

About N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine

N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine (PubChem CID 18598081) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine
PubChem CID18598081
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine
SMILESCN(C)C[C@H]1CCC[C@]12Cc1ccccc1O2
InChIInChI=1S/C15H21NO/c1-16(2)11-13-7-5-9-15(13)10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13H,5,7,9-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyVWKVSEUPVNPSMG-HIFRSBDPSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine with MolForge

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Related Compounds

N-ethyl-N-[[(2S)-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl]methyl]ethanamine
CID 70371674
N-methyl-1-spiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-ylmethanamine
CID 13233625
1-(6-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine
CID 13233470
1-(4-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19862246
1-[(1'R,2S)-5,7-dibromospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine
CID 22824168
2-(5-bromospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylethanamine
CID 13458056
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
2-[(dimethylamino)methyl]-1-pyridin-2-ylcyclohexan-1-ol
CID 5101432
(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol
CID 90169126
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclopentan-1-ol
CID 13458035

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine (CID 18598081) is N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine is CN(C)C[C@H]1CCC[C@]12Cc1ccccc1O2.
What is the InChIKey of N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine?
The InChIKey is VWKVSEUPVNPSMG-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H21NO/c1-16(2)11-13-7-5-9-15(13)10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13H,5,7,9-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine?
N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1'R,2S)-spiro[3H-1-benzofuran-2,2'-cyclopentane]-1'-yl]methanamine is sourced from PubChem (CID 18598081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).