1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine

C14H27NO — CID 172563902

IUPAC1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine
SMILESCOC1CCC(CCN2CCC(C)C2)CC1
InChIInChI=1S/C14H27NO/c1-12-7-9-15(11-12)10-8-13-3-5-14(16-2)6-4-13/h12-14H,3-11H2,1-2H3
InChIKeyIGLPWHKPFVLSHA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine

1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine (PubChem CID 172563902) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine
PubChem CID172563902
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine
SMILESCOC1CCC(CCN2CCC(C)C2)CC1
InChIInChI=1S/C14H27NO/c1-12-7-9-15(11-12)10-8-13-3-5-14(16-2)6-4-13/h12-14H,3-11H2,1-2H3
InChIKeyIGLPWHKPFVLSHA-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-[(S)-fluoro-[(1S,2S)-2-methylcyclohexyl]oxymethyl]pyrrolidine
CID 140043206
5-Cyclohexyl-3-methyl-1,3-oxazolidine
CID 154708204
2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
CID 176558045
Carbanide;methyl-[2-(4-propoxycyclohexyl)ethyl]azanide;tungsten(2+)
CID 23395973
1-[2-(4-Propan-2-ylcyclohexyl)oxyethyl]pyrrolidine
CID 71234493
1-[2-(4-Methylcyclohexyl)oxyethyl]pyrrolidine
CID 71235973
N,N-diethylethanamine;1-methoxy-4-methylcyclohexane
CID 91392056
3-Methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine
CID 135197017
1-[(4-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510261
1-[(3-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510456
1-[(2-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510610
(2S,3S)-1-tert-butyl-3-(4-methoxycyclohexyl)-2-methylpyrrolidine
CID 141395910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine?
The IUPAC name of 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine (CID 172563902) is 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine is COC1CCC(CCN2CCC(C)C2)CC1.
What is the InChIKey of 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine?
The InChIKey is IGLPWHKPFVLSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-7-9-15(11-12)10-8-13-3-5-14(16-2)6-4-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine?
1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxycyclohexyl)ethyl]-3-methylpyrrolidine is sourced from PubChem (CID 172563902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).