cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine

C11H20N2O — CID 130485538

IUPACcyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCOC(CC)C1
InChIInChI=1S/C11H20N2O/c1-2-10-8-13(6-3-7-14-10)11(12)9-4-5-9/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyCEQPRHQRNAWHNF-VAWYXSNFSA-N
MW196.29 g/mol
LogP1.87
Rot. Bonds2

About cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine

cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine (PubChem CID 130485538) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
PubChem CID130485538
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCOC(CC)C1
InChIInChI=1S/C11H20N2O/c1-2-10-8-13(6-3-7-14-10)11(12)9-4-5-9/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyCEQPRHQRNAWHNF-VAWYXSNFSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.87
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

(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218405
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
(2-ethylmorpholin-4-yl)-phenylmethanimine
CID 63175731
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
CID 130485488
4-[(2-ethyl-1,4-oxazepane-4-carbonyl)-methylamino]butanoic acid
CID 114218598
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 114218404
6-amino-1-(2-ethyl-1,4-oxazepan-4-yl)hexan-1-one
CID 114218375
cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
CID 107395818
morpholin-4-yl(oxan-4-yl)methanimine
CID 65334629
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine?
The IUPAC name of cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine (CID 130485538) is cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine.
What is the SMILES notation for cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine?
The canonical SMILES for cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine is [H]/N=C(\C1CC1)N1CCCOC(CC)C1.
What is the InChIKey of cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine?
The InChIKey is CEQPRHQRNAWHNF-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10-8-13(6-3-7-14-10)11(12)9-4-5-9/h9-10,12H,2-8H2,1H3/b12-11+.
What are the key properties of cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine?
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine has a molecular weight of 196.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine is sourced from PubChem (CID 130485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).