1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol

C24H34N2O — CID 72758154

IUPAC1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
SMILESCN(C)C1CCN(CC(c2cccc3ccccc23)C2(O)CCCCC2)C1
InChIInChI=1S/C24H34N2O/c1-25(2)20-13-16-26(17-20)18-23(24(27)14-6-3-7-15-24)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-12,20,23,27H,3,6-7,13-18H2,1-2H3
InChIKeyWHMRLHZYHWUSOQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.25
Rot. Bonds5

About 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol

1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol (PubChem CID 72758154) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
PubChem CID72758154
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
SMILESCN(C)C1CCN(CC(c2cccc3ccccc23)C2(O)CCCCC2)C1
InChIInChI=1S/C24H34N2O/c1-25(2)20-13-16-26(17-20)18-23(24(27)14-6-3-7-15-24)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-12,20,23,27H,3,6-7,13-18H2,1-2H3
InChIKeyWHMRLHZYHWUSOQ-UHFFFAOYSA-N
XLogP4.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol (CID 72758154) is 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol is CN(C)C1CCN(CC(c2cccc3ccccc23)C2(O)CCCCC2)C1.
What is the InChIKey of 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The InChIKey is WHMRLHZYHWUSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-25(2)20-13-16-26(17-20)18-23(24(27)14-6-3-7-15-24)22-12-8-10-19-9-4-5-11-21(19)22/h4-5,8-12,20,23,27H,3,6-7,13-18H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol has a molecular weight of 366.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 72758154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).