[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol

C18H35NO — CID 79075083

IUPAC[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)C2(N(C)C)CCCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-4-15-9-11-16(12-10-15)17(20)18(19(2)3)13-7-5-6-8-14-18/h15-17,20H,4-14H2,1-3H3
InChIKeyPLZLCKBFPKIYOI-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.22
Rot. Bonds4

About [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol

[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol (PubChem CID 79075083) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol
PubChem CID79075083
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)C2(N(C)C)CCCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-4-15-9-11-16(12-10-15)17(20)18(19(2)3)13-7-5-6-8-14-18/h15-17,20H,4-14H2,1-3H3
InChIKeyPLZLCKBFPKIYOI-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol (CID 79075083) is [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)C2(N(C)C)CCCCCC2)CC1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol?
The InChIKey is PLZLCKBFPKIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-15-9-11-16(12-10-15)17(20)18(19(2)3)13-7-5-6-8-14-18/h15-17,20H,4-14H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol?
[1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol has a molecular weight of 281.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 79075083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).