1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride

C11H25ClN2O — CID 120849628

IUPAC1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCCC1CN(CC(C)(C)N)CCCO1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-10-8-13(6-5-7-14-10)9-11(2,3)12;/h10H,4-9,12H2,1-3H3;1H
InChIKeyRHUMFLGKTJZFNO-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride

1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 120849628) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID120849628
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCCC1CN(CC(C)(C)N)CCCO1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-10-8-13(6-5-7-14-10)9-11(2,3)12;/h10H,4-9,12H2,1-3H3;1H
InChIKeyRHUMFLGKTJZFNO-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-2-methylpentanoic acid
CID 114218749
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
CID 114218748
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
CID 114218481
2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid
CID 114218703
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine
CID 79814119
2-methyl-1-(2-propan-2-ylmorpholin-4-yl)propan-2-amine;hydrochloride
CID 120848835

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride (CID 120849628) is 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride is CCC1CN(CC(C)(C)N)CCCO1.Cl.
What is the InChIKey of 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is RHUMFLGKTJZFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-4-10-8-13(6-5-7-14-10)9-11(2,3)12;/h10H,4-9,12H2,1-3H3;1H.
What are the key properties of 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride?
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120849628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).