(4R,7R)-1,7-dimethylazepan-4-ol

C8H17NO — CID 167089908

IUPAC(4R,7R)-1,7-dimethylazepan-4-ol
SMILESC[C@@H]1CC[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO/c1-7-3-4-8(10)5-6-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDKYWQXPAZWULSI-HTQZYQBOSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds

About (4R,7R)-1,7-dimethylazepan-4-ol

(4R,7R)-1,7-dimethylazepan-4-ol (PubChem CID 167089908) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4R,7R)-1,7-dimethylazepan-4-ol.

Molecular Properties

Compound Name(4R,7R)-1,7-dimethylazepan-4-ol
PubChem CID167089908
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4R,7R)-1,7-dimethylazepan-4-ol
SMILESC[C@@H]1CC[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO/c1-7-3-4-8(10)5-6-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDKYWQXPAZWULSI-HTQZYQBOSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
1,2-dimethylpyrrolidine;methanol
CID 158560912
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
(4S)-1-methylazepan-4-ol
CID 29414429
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
(7R)-3,4,7-trimethyl-1,4-oxazepane
CID 174071951
1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol
CID 70236975
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
cyclohexane-1,4-diol
CID 11162

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-1,7-dimethylazepan-4-ol?
The IUPAC name of (4R,7R)-1,7-dimethylazepan-4-ol (CID 167089908) is (4R,7R)-1,7-dimethylazepan-4-ol.
What is the SMILES notation for (4R,7R)-1,7-dimethylazepan-4-ol?
The canonical SMILES for (4R,7R)-1,7-dimethylazepan-4-ol is C[C@@H]1CC[C@@H](O)CCN1C.
What is the InChIKey of (4R,7R)-1,7-dimethylazepan-4-ol?
The InChIKey is DKYWQXPAZWULSI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-3-4-8(10)5-6-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (4R,7R)-1,7-dimethylazepan-4-ol?
(4R,7R)-1,7-dimethylazepan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-1,7-dimethylazepan-4-ol is sourced from PubChem (CID 167089908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).