2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C19H29NO — CID 115420102

IUPAC2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1CCCN(C2CC(C)c3ccccc3C2O)CC1
InChIInChI=1S/C19H29NO/c1-3-15-7-6-11-20(12-10-15)18-13-14(2)16-8-4-5-9-17(16)19(18)21/h4-5,8-9,14-15,18-19,21H,3,6-7,10-13H2,1-2H3
InChIKeyHVEIRQMAEIMOIV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.11
Rot. Bonds2

About 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420102) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420102
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1CCCN(C2CC(C)c3ccccc3C2O)CC1
InChIInChI=1S/C19H29NO/c1-3-15-7-6-11-20(12-10-15)18-13-14(2)16-8-4-5-9-17(16)19(18)21/h4-5,8-9,14-15,18-19,21H,3,6-7,10-13H2,1-2H3
InChIKeyHVEIRQMAEIMOIV-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
2-(4-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420002
2-(3-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102966127
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420107
2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420119
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80995975
2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418831
2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420017
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418929
6-(4-ethylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 79836829

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420102) is 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCC1CCCN(C2CC(C)c3ccccc3C2O)CC1.
What is the InChIKey of 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is HVEIRQMAEIMOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-15-7-6-11-20(12-10-15)18-13-14(2)16-8-4-5-9-17(16)19(18)21/h4-5,8-9,14-15,18-19,21H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 287.45 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).