4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol

C19H29NO — CID 65115899

IUPAC4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-2-15-9-11-19(21,12-10-15)14-20-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,15,18,20-21H,2,7-14H2,1H3
InChIKeyDMLBRRMTUWSMLG-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.46
Rot. Bonds4

About 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65115899) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65115899
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H29NO/c1-2-15-9-11-19(21,12-10-15)14-20-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,15,18,20-21H,2,7-14H2,1H3
InChIKeyDMLBRRMTUWSMLG-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol (CID 65115899) is 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is DMLBRRMTUWSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-15-9-11-19(21,12-10-15)14-20-18-8-7-16-5-3-4-6-17(16)13-18/h3-6,15,18,20-21H,2,7-14H2,1H3.
What are the key properties of 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).