2-(methoxymethyl)cyclopentan-1-imine

C7H13NO — CID 171107424

IUPAC2-(methoxymethyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCCC1COC
InChIInChI=1S/C7H13NO/c1-9-5-6-3-2-4-7(6)8/h6,8H,2-5H2,1H3/b8-7+
InChIKeyIDEBVNJJXMGCFB-BQYQJAHWSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds2

About 2-(methoxymethyl)cyclopentan-1-imine

2-(methoxymethyl)cyclopentan-1-imine (PubChem CID 171107424) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(methoxymethyl)cyclopentan-1-imine.

Molecular Properties

Compound Name2-(methoxymethyl)cyclopentan-1-imine
PubChem CID171107424
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(methoxymethyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCCC1COC
InChIInChI=1S/C7H13NO/c1-9-5-6-3-2-4-7(6)8/h6,8H,2-5H2,1H3/b8-7+
InChIKeyIDEBVNJJXMGCFB-BQYQJAHWSA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl cyclopentanecarboximidate hydrochloride
CID 13928572
Methyl cyclopentanecarboximidate
CID 13928571
[Cyclopentyl(ethoxy)methylidene]azanium
CID 168849098
Ethyl cyclopentanecarbimidate hydrochloride
CID 11412690
Cyclopentanecarboximidic acid ethyl ester
CID 11412691
(3S)-1-oxaspiro[2.4]heptan-5-imine
CID 23557970
(3-Iminocyclopentyl)methanol
CID 53681316
1-(3-Methoxycyclopentyl)ethanimine
CID 57697752
1-[(2R)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 57722183
1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 89172437
4-(Oxiran-2-yl)pentan-2-imine
CID 90846302
1-Methoxy-2-methylpentan-3-imine
CID 123231606

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)cyclopentan-1-imine?
The IUPAC name of 2-(methoxymethyl)cyclopentan-1-imine (CID 171107424) is 2-(methoxymethyl)cyclopentan-1-imine.
What is the SMILES notation for 2-(methoxymethyl)cyclopentan-1-imine?
The canonical SMILES for 2-(methoxymethyl)cyclopentan-1-imine is [H]/N=C1\CCCC1COC.
What is the InChIKey of 2-(methoxymethyl)cyclopentan-1-imine?
The InChIKey is IDEBVNJJXMGCFB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-5-6-3-2-4-7(6)8/h6,8H,2-5H2,1H3/b8-7+.
What are the key properties of 2-(methoxymethyl)cyclopentan-1-imine?
2-(methoxymethyl)cyclopentan-1-imine has a molecular weight of 127.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)cyclopentan-1-imine is sourced from PubChem (CID 171107424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).