3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine

C17H33NO — CID 135197017

IUPAC3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine
SMILESCC1CCN(C(C)CC2CCC(OC(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)19-17-7-5-16(6-8-17)11-15(4)18-10-9-14(3)12-18/h13-17H,5-12H2,1-4H3
InChIKeyNOFFCMOFDFWERZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.09
Rot. Bonds5

About 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine

3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine (PubChem CID 135197017) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine
PubChem CID135197017
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine
SMILESCC1CCN(C(C)CC2CCC(OC(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)19-17-7-5-16(6-8-17)11-15(4)18-10-9-14(3)12-18/h13-17H,5-12H2,1-4H3
InChIKeyNOFFCMOFDFWERZ-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane
CID 58552418
1,4-Dimethyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
CID 58903063
1-Ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine
CID 126561566
1-[(4-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510261
1-[(2-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510610
1,2,2,5,5-Pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
CID 138724423
1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]-2,5-dimethylpyrrolidine
CID 140449839
1-[3-[4-(Cyclohexylmethyl)cyclohexyl]oxypropyl]pyrrolidine
CID 140449848
1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxybutyl]pyrrolidine
CID 140449852
1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]-2-(methoxymethyl)pyrrolidine
CID 140449911
(2S)-1,2-ditert-butyl-4-(cyclohexylmethoxy)pyrrolidine
CID 140453294
(2S,3S)-1-tert-butyl-3-(4-methoxycyclohexyl)-2-methylpyrrolidine
CID 141395910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine?
The IUPAC name of 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine (CID 135197017) is 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine is CC1CCN(C(C)CC2CCC(OC(C)C)CC2)C1.
What is the InChIKey of 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine?
The InChIKey is NOFFCMOFDFWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)19-17-7-5-16(6-8-17)11-15(4)18-10-9-14(3)12-18/h13-17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine?
3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine has a molecular weight of 267.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-propan-2-yloxycyclohexyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 135197017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).