(2R,6S)-2,6-dimethylazepane;hydrochloride

C8H18ClN — CID 66594946

IUPAC(2R,6S)-2,6-dimethylazepane;hydrochloride
SMILESC[C@H]1CCC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7-4-3-5-8(2)9-6-7;/h7-9H,3-6H2,1-2H3;1H/t7-,8+;/m0./s1
InChIKeyLSWMZDNDVLRYPQ-KZYPOYLOSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds

About (2R,6S)-2,6-dimethylazepane;hydrochloride

(2R,6S)-2,6-dimethylazepane;hydrochloride (PubChem CID 66594946) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethylazepane;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethylazepane;hydrochloride
PubChem CID66594946
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name(2R,6S)-2,6-dimethylazepane;hydrochloride
SMILESC[C@H]1CCC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7-4-3-5-8(2)9-6-7;/h7-9H,3-6H2,1-2H3;1H/t7-,8+;/m0./s1
InChIKeyLSWMZDNDVLRYPQ-KZYPOYLOSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethylazepane;hydrochloride?
The IUPAC name of (2R,6S)-2,6-dimethylazepane;hydrochloride (CID 66594946) is (2R,6S)-2,6-dimethylazepane;hydrochloride.
What is the SMILES notation for (2R,6S)-2,6-dimethylazepane;hydrochloride?
The canonical SMILES for (2R,6S)-2,6-dimethylazepane;hydrochloride is C[C@H]1CCC[C@@H](C)NC1.Cl.
What is the InChIKey of (2R,6S)-2,6-dimethylazepane;hydrochloride?
The InChIKey is LSWMZDNDVLRYPQ-KZYPOYLOSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-7-4-3-5-8(2)9-6-7;/h7-9H,3-6H2,1-2H3;1H/t7-,8+;/m0./s1.
What are the key properties of (2R,6S)-2,6-dimethylazepane;hydrochloride?
(2R,6S)-2,6-dimethylazepane;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethylazepane;hydrochloride is sourced from PubChem (CID 66594946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).