2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine

C11H22N2O — CID 63182094

IUPAC2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine
SMILES[H]/N=C(\N1CCCOC(C)C1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9-8-13(6-5-7-14-9)10(12)11(2,3)4/h9,12H,5-8H2,1-4H3/b12-10-
InChIKeyDBKJYKGAJBZZQD-BENRWUELSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds

About 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine

2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine (PubChem CID 63182094) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine
PubChem CID63182094
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine
SMILES[H]/N=C(\N1CCCOC(C)C1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9-8-13(6-5-7-14-9)10(12)11(2,3)4/h9,12H,5-8H2,1-4H3/b12-10-
InChIKeyDBKJYKGAJBZZQD-BENRWUELSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine
CID 104961271
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
(2S)-2-amino-3,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)butan-1-one;hydrochloride
CID 119771958
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
3-hydroxy-3-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]butanoic acid
CID 66001043
2-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 55139798

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine (CID 63182094) is 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine is [H]/N=C(\N1CCCOC(C)C1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine?
The InChIKey is DBKJYKGAJBZZQD-BENRWUELSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-8-13(6-5-7-14-9)10(12)11(2,3)4/h9,12H,5-8H2,1-4H3/b12-10-.
What are the key properties of 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine?
2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine has a molecular weight of 198.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine is sourced from PubChem (CID 63182094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).