1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

C18H36N2O — CID 115967290

IUPAC1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNC1CC(C)CC(C)C1CN1CCC(C(C)O)C1
InChIInChI=1S/C18H36N2O/c1-5-7-19-18-10-13(2)9-14(3)17(18)12-20-8-6-16(11-20)15(4)21/h13-19,21H,5-12H2,1-4H3
InChIKeyUYVNFOPVJPLRHZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.74
Rot. Bonds6

About 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115967290) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115967290
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNC1CC(C)CC(C)C1CN1CCC(C(C)O)C1
InChIInChI=1S/C18H36N2O/c1-5-7-19-18-10-13(2)9-14(3)17(18)12-20-8-6-16(11-20)15(4)21/h13-19,21H,5-12H2,1-4H3
InChIKeyUYVNFOPVJPLRHZ-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (CID 115967290) is 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is CCCNC1CC(C)CC(C)C1CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is UYVNFOPVJPLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-7-19-18-10-13(2)9-14(3)17(18)12-20-8-6-16(11-20)15(4)21/h13-19,21H,5-12H2,1-4H3.
What are the key properties of 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 296.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).