cyclopentyl(1,4-oxazepan-4-yl)methanimine

C11H20N2O — CID 63181570

IUPACcyclopentyl(1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O/c12-11(10-4-1-2-5-10)13-6-3-8-14-9-7-13/h10,12H,1-9H2/b12-11+
InChIKeyIZRLWWKDPNQUGS-VAWYXSNFSA-N
MW196.29 g/mol
LogP1.88
Rot. Bonds1

About cyclopentyl(1,4-oxazepan-4-yl)methanimine

cyclopentyl(1,4-oxazepan-4-yl)methanimine (PubChem CID 63181570) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopentyl(1,4-oxazepan-4-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl(1,4-oxazepan-4-yl)methanimine
PubChem CID63181570
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopentyl(1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O/c12-11(10-4-1-2-5-10)13-6-3-8-14-9-7-13/h10,12H,1-9H2/b12-11+
InChIKeyIZRLWWKDPNQUGS-VAWYXSNFSA-N
XLogP1.88
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.88
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

cyclopropyl(1,4-oxazepan-4-yl)methanimine
CID 63181568
morpholin-4-yl(oxan-4-yl)methanimine
CID 65334629
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
(4-methylpiperazin-1-yl)-(oxan-4-yl)methanimine
CID 65334630
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
CID 65333889
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
CID 55159975
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
CID 63176602
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,4-oxazepan-4-yl)methanimine?
The IUPAC name of cyclopentyl(1,4-oxazepan-4-yl)methanimine (CID 63181570) is cyclopentyl(1,4-oxazepan-4-yl)methanimine.
What is the SMILES notation for cyclopentyl(1,4-oxazepan-4-yl)methanimine?
The canonical SMILES for cyclopentyl(1,4-oxazepan-4-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCCOCC1.
What is the InChIKey of cyclopentyl(1,4-oxazepan-4-yl)methanimine?
The InChIKey is IZRLWWKDPNQUGS-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11(10-4-1-2-5-10)13-6-3-8-14-9-7-13/h10,12H,1-9H2/b12-11+.
What are the key properties of cyclopentyl(1,4-oxazepan-4-yl)methanimine?
cyclopentyl(1,4-oxazepan-4-yl)methanimine has a molecular weight of 196.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,4-oxazepan-4-yl)methanimine is sourced from PubChem (CID 63181570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).