2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol

C15H29NO2 — CID 138519686

IUPAC2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol
SMILESCOC1CCC(CN(CCO)C2CCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-18-15-8-6-13(7-9-15)12-16(10-11-17)14-4-2-3-5-14/h13-15,17H,2-12H2,1H3
InChIKeyJIRVUOHAKMSVRA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds6

About 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol

2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol (PubChem CID 138519686) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol
PubChem CID138519686
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol
SMILESCOC1CCC(CN(CCO)C2CCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-18-15-8-6-13(7-9-15)12-16(10-11-17)14-4-2-3-5-14/h13-15,17H,2-12H2,1H3
InChIKeyJIRVUOHAKMSVRA-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol (CID 138519686) is 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol is COC1CCC(CN(CCO)C2CCCC2)CC1.
What is the InChIKey of 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol?
The InChIKey is JIRVUOHAKMSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-18-15-8-6-13(7-9-15)12-16(10-11-17)14-4-2-3-5-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol?
2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4-methoxycyclohexyl)methyl]amino]ethanol is sourced from PubChem (CID 138519686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).