4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol

C15H29NO — CID 65116235

IUPAC4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCC(C)C2)CC1
InChIInChI=1S/C15H29NO/c1-3-13-6-8-15(17,9-7-13)11-16-14-5-4-12(2)10-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyYXRQHNIOYTZVDZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116235) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID65116235
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCC(C)C2)CC1
InChIInChI=1S/C15H29NO/c1-3-13-6-8-15(17,9-7-13)11-16-14-5-4-12(2)10-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyYXRQHNIOYTZVDZ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 65116235) is 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCC(C)C2)CC1.
What is the InChIKey of 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YXRQHNIOYTZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-13-6-8-15(17,9-7-13)11-16-14-5-4-12(2)10-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).