(2R,6R)-2,6-dimethylazepane

C8H17N — CID 66594498

IUPAC(2R,6R)-2,6-dimethylazepane
SMILESC[C@@H]1CCC[C@@H](C)NC1
InChIInChI=1S/C8H17N/c1-7-4-3-5-8(2)9-6-7/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyVLFIHSMLNPGTQG-HTQZYQBOSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds

About (2R,6R)-2,6-dimethylazepane

(2R,6R)-2,6-dimethylazepane (PubChem CID 66594498) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethylazepane.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethylazepane
PubChem CID66594498
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R,6R)-2,6-dimethylazepane
SMILESC[C@@H]1CCC[C@@H](C)NC1
InChIInChI=1S/C8H17N/c1-7-4-3-5-8(2)9-6-7/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyVLFIHSMLNPGTQG-HTQZYQBOSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethylazepane?
The IUPAC name of (2R,6R)-2,6-dimethylazepane (CID 66594498) is (2R,6R)-2,6-dimethylazepane.
What is the SMILES notation for (2R,6R)-2,6-dimethylazepane?
The canonical SMILES for (2R,6R)-2,6-dimethylazepane is C[C@@H]1CCC[C@@H](C)NC1.
What is the InChIKey of (2R,6R)-2,6-dimethylazepane?
The InChIKey is VLFIHSMLNPGTQG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-3-5-8(2)9-6-7/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethylazepane?
(2R,6R)-2,6-dimethylazepane has a molecular weight of 127.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethylazepane is sourced from PubChem (CID 66594498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).