[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol

C18H35NO — CID 79069865

IUPAC[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol
SMILESCCN(CC)C1(C(O)C2CC(C)CC(C)C2)CCCC1
InChIInChI=1S/C18H35NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-17,20H,5-13H2,1-4H3
InChIKeyPDNVJZHKQHQIGY-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.07
Rot. Bonds5

About [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol

[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol (PubChem CID 79069865) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol
PubChem CID79069865
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol
SMILESCCN(CC)C1(C(O)C2CC(C)CC(C)C2)CCCC1
InChIInChI=1S/C18H35NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-17,20H,5-13H2,1-4H3
InChIKeyPDNVJZHKQHQIGY-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol?
The IUPAC name of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol (CID 79069865) is [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol.
What is the SMILES notation for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol?
The canonical SMILES for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol is CCN(CC)C1(C(O)C2CC(C)CC(C)C2)CCCC1.
What is the InChIKey of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol?
The InChIKey is PDNVJZHKQHQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-17,20H,5-13H2,1-4H3.
What are the key properties of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol?
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol has a molecular weight of 281.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol is sourced from PubChem (CID 79069865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).