(6S)-6-methyl-1,4-oxazepane;hydrochloride

C6H14ClNO — CID 172639102

IUPAC(6S)-6-methyl-1,4-oxazepane;hydrochloride
SMILESC[C@H]1CNCCOC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-4-7-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyGFLYPKSJXYATIR-RGMNGODLSA-N
MW151.64 g/mol
LogP0.66
Rot. Bonds

About (6S)-6-methyl-1,4-oxazepane;hydrochloride

(6S)-6-methyl-1,4-oxazepane;hydrochloride (PubChem CID 172639102) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (6S)-6-methyl-1,4-oxazepane;hydrochloride.

Molecular Properties

Compound Name(6S)-6-methyl-1,4-oxazepane;hydrochloride
PubChem CID172639102
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(6S)-6-methyl-1,4-oxazepane;hydrochloride
SMILESC[C@H]1CNCCOC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-4-7-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyGFLYPKSJXYATIR-RGMNGODLSA-N
XLogP0.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-oxazepan-6-amine;dihydrochloride
CID 135392997
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
CID 161332742
1,4-oxazepan-6-yl formate;hydrochloride
CID 175544159
(3S)-3-methyloxolane
CID 7857636
ethane;(3S)-3-methylmorpholine
CID 145275253
3-methylmorpholine;hydrobromide
CID 173415172
6-heptyl-1,4-oxazepane
CID 155363719
ethane;morpholine
CID 91516807
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
3-methyl-1-(oxan-3-yl)-1,5-diazocane
CID 63361265
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1,4-oxazepane;hydrochloride?
The IUPAC name of (6S)-6-methyl-1,4-oxazepane;hydrochloride (CID 172639102) is (6S)-6-methyl-1,4-oxazepane;hydrochloride.
What is the SMILES notation for (6S)-6-methyl-1,4-oxazepane;hydrochloride?
The canonical SMILES for (6S)-6-methyl-1,4-oxazepane;hydrochloride is C[C@H]1CNCCOC1.Cl.
What is the InChIKey of (6S)-6-methyl-1,4-oxazepane;hydrochloride?
The InChIKey is GFLYPKSJXYATIR-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6-4-7-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (6S)-6-methyl-1,4-oxazepane;hydrochloride?
(6S)-6-methyl-1,4-oxazepane;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1,4-oxazepane;hydrochloride is sourced from PubChem (CID 172639102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).