1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

C14H27NO — CID 58903063

IUPAC1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)CN2C)CC1
InChIInChI=1S/C14H27NO/c1-11-4-6-14(7-5-11)16-10-13-8-12(2)9-15(13)3/h11-14H,4-10H2,1-3H3
InChIKeyUTFKVFYXKCXZGO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds3

About 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (PubChem CID 58903063) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
PubChem CID58903063
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)CN2C)CC1
InChIInChI=1S/C14H27NO/c1-11-4-6-14(7-5-11)16-10-13-8-12(2)9-15(13)3/h11-14H,4-10H2,1-3H3
InChIKeyUTFKVFYXKCXZGO-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(oxan-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]butan-1-amine
CID 100703854
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 175612151
(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine
CID 176664569
(2S)-3-(2,2-difluoroethyl)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009264
1-Methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine
CID 177126186
3-Ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane
CID 143899794
4-Methoxy-6,6-dimethyl-6-azabicyclo[3.2.1]octan-6-ium iodide
CID 24195166
2-(1-Methoxypropyl)-1,4-dimethylpyrrolidine
CID 22897782
(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
CID 54016731
2-(1-Methoxy-2-methylpropyl)-1-methylpyrrolidine
CID 54490550
[(2S,4R)-4-methoxy-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidin-1-yl]phosphane
CID 57868200
2-(Ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778550

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The IUPAC name of 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (CID 58903063) is 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The canonical SMILES for 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is CC1CCC(OCC2CC(C)CN2C)CC1.
What is the InChIKey of 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The InChIKey is UTFKVFYXKCXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-4-6-14(7-5-11)16-10-13-8-12(2)9-15(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is sourced from PubChem (CID 58903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).