6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C19H37NO — CID 79843711

IUPAC6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCN(CC2CCCC(C)(C)C2O)CC1
InChIInChI=1S/C19H37NO/c1-18(2,3)16-9-7-12-20(13-10-16)14-15-8-6-11-19(4,5)17(15)21/h15-17,21H,6-14H2,1-5H3
InChIKeyHDFMFIKYIDHXDS-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.32
Rot. Bonds2

About 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79843711) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79843711
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCN(CC2CCCC(C)(C)C2O)CC1
InChIInChI=1S/C19H37NO/c1-18(2,3)16-9-7-12-20(13-10-16)14-15-8-6-11-19(4,5)17(15)21/h15-17,21H,6-14H2,1-5H3
InChIKeyHDFMFIKYIDHXDS-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349
2,2-dimethyl-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
CID 79848658
5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866412
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 79843515
6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848579
4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
CID 66236936
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 102967513
5-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855580
2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 79856040
6-[(2-ethylmorpholin-4-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849362
5-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 114083733
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848433

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79843711) is 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is CC(C)(C)C1CCCN(CC2CCCC(C)(C)C2O)CC1.
What is the InChIKey of 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is HDFMFIKYIDHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-18(2,3)16-9-7-12-20(13-10-16)14-15-8-6-11-19(4,5)17(15)21/h15-17,21H,6-14H2,1-5H3.
What are the key properties of 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79843711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).