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

C9H16N2O — CID 63181568

IUPACcyclopropyl(1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCOCC1
InChIInChI=1S/C9H16N2O/c10-9(8-2-3-8)11-4-1-6-12-7-5-11/h8,10H,1-7H2/b10-9+
InChIKeyDQTLTQSSAAOMLI-MDZDMXLPSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds1

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

cyclopropyl(1,4-oxazepan-4-yl)methanimine (PubChem CID 63181568) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopropyl(1,4-oxazepan-4-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl(1,4-oxazepan-4-yl)methanimine
PubChem CID63181568
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namecyclopropyl(1,4-oxazepan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCOCC1
InChIInChI=1S/C9H16N2O/c10-9(8-2-3-8)11-4-1-6-12-7-5-11/h8,10H,1-7H2/b10-9+
InChIKeyDQTLTQSSAAOMLI-MDZDMXLPSA-N
XLogP1.10
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
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

cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
morpholin-4-yl(oxan-4-yl)methanimine
CID 65334629
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
(4-methylpiperazin-1-yl)-(oxan-4-yl)methanimine
CID 65334630
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538
8-azaspiro[4.5]decan-8-yl(cyclopropyl)methanimine
CID 63178211
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
CID 63176602
(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
CID 65333889
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
CID 63175916
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,4-oxazepan-4-yl)methanimine?
The IUPAC name of cyclopropyl(1,4-oxazepan-4-yl)methanimine (CID 63181568) is cyclopropyl(1,4-oxazepan-4-yl)methanimine.
What is the SMILES notation for cyclopropyl(1,4-oxazepan-4-yl)methanimine?
The canonical SMILES for cyclopropyl(1,4-oxazepan-4-yl)methanimine is [H]/N=C(\C1CC1)N1CCCOCC1.
What is the InChIKey of cyclopropyl(1,4-oxazepan-4-yl)methanimine?
The InChIKey is DQTLTQSSAAOMLI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(8-2-3-8)11-4-1-6-12-7-5-11/h8,10H,1-7H2/b10-9+.
What are the key properties of cyclopropyl(1,4-oxazepan-4-yl)methanimine?
cyclopropyl(1,4-oxazepan-4-yl)methanimine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,4-oxazepan-4-yl)methanimine is sourced from PubChem (CID 63181568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).