(3R,4R)-1,3-dimethylazepan-4-ol

C8H17NO — CID 54116719

IUPAC(3R,4R)-1,3-dimethylazepan-4-ol
SMILESC[C@@H]1CN(C)CCC[C@H]1O
InChIInChI=1S/C8H17NO/c1-7-6-9(2)5-3-4-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyNKVHUWNUEBMXIE-HTQZYQBOSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds

About (3R,4R)-1,3-dimethylazepan-4-ol

(3R,4R)-1,3-dimethylazepan-4-ol (PubChem CID 54116719) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3R,4R)-1,3-dimethylazepan-4-ol.

Molecular Properties

Compound Name(3R,4R)-1,3-dimethylazepan-4-ol
PubChem CID54116719
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3R,4R)-1,3-dimethylazepan-4-ol
SMILESC[C@@H]1CN(C)CCC[C@H]1O
InChIInChI=1S/C8H17NO/c1-7-6-9(2)5-3-4-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyNKVHUWNUEBMXIE-HTQZYQBOSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3-dimethylazepan-4-ol?
The IUPAC name of (3R,4R)-1,3-dimethylazepan-4-ol (CID 54116719) is (3R,4R)-1,3-dimethylazepan-4-ol.
What is the SMILES notation for (3R,4R)-1,3-dimethylazepan-4-ol?
The canonical SMILES for (3R,4R)-1,3-dimethylazepan-4-ol is C[C@@H]1CN(C)CCC[C@H]1O.
What is the InChIKey of (3R,4R)-1,3-dimethylazepan-4-ol?
The InChIKey is NKVHUWNUEBMXIE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-6-9(2)5-3-4-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-1,3-dimethylazepan-4-ol?
(3R,4R)-1,3-dimethylazepan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3-dimethylazepan-4-ol is sourced from PubChem (CID 54116719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).