1-(4-methoxycyclohexyl)pyrrolidine

C11H21NO — CID 57001889

IUPAC1-(4-methoxycyclohexyl)pyrrolidine
SMILESCOC1CCC(N2CCCC2)CC1
InChIInChI=1S/C11H21NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h10-11H,2-9H2,1H3
InChIKeyAAIXCTNCHHXWRY-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds2

About 1-(4-methoxycyclohexyl)pyrrolidine

1-(4-methoxycyclohexyl)pyrrolidine (PubChem CID 57001889) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)pyrrolidine
PubChem CID57001889
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-methoxycyclohexyl)pyrrolidine
SMILESCOC1CCC(N2CCCC2)CC1
InChIInChI=1S/C11H21NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h10-11H,2-9H2,1H3
InChIKeyAAIXCTNCHHXWRY-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyrrolidino-cyclohexanol
CID 13670663
4-methoxy-N-methyl-N-propylcyclohexan-1-amine
CID 45091382
4-methoxy-N,N-dimethylcyclohexan-1-amine
CID 57678115
N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 58365089
1-Methyl-2-(2-propan-2-yloxyethyl)pyrrolidine
CID 58603345
O-(4-pyrrolidin-1-ylcyclohexyl)hydroxylamine
CID 68027594
O-[4-(2-methylpyrrolidin-1-yl)cyclohexyl]hydroxylamine
CID 68027839
4-ethoxy-N,N-dimethylcyclohexan-1-amine
CID 68275124
1-(4-Methoxycyclohexyl)piperidine
CID 68355841
N-ethyl-4-methoxy-N-methylcyclohexan-1-amine
CID 69938735
N-butyl-4-methoxy-N-methylcyclohexan-1-amine
CID 89265037
4-methoxy-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 89410786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)pyrrolidine?
The IUPAC name of 1-(4-methoxycyclohexyl)pyrrolidine (CID 57001889) is 1-(4-methoxycyclohexyl)pyrrolidine.
What is the SMILES notation for 1-(4-methoxycyclohexyl)pyrrolidine?
The canonical SMILES for 1-(4-methoxycyclohexyl)pyrrolidine is COC1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)pyrrolidine?
The InChIKey is AAIXCTNCHHXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(4-methoxycyclohexyl)pyrrolidine?
1-(4-methoxycyclohexyl)pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)pyrrolidine is sourced from PubChem (CID 57001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).