(2S)-2-(methoxymethyl)cyclopentan-1-imine

C7H13NO — CID 171107441

IUPAC(2S)-2-(methoxymethyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCC[C@@H]1COC
InChIInChI=1S/C7H13NO/c1-9-5-6-3-2-4-7(6)8/h6,8H,2-5H2,1H3/b8-7+/t6-/m1/s1
InChIKeyIDEBVNJJXMGCFB-UCTBAKFRSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds2

About (2S)-2-(methoxymethyl)cyclopentan-1-imine

(2S)-2-(methoxymethyl)cyclopentan-1-imine (PubChem CID 171107441) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)cyclopentan-1-imine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)cyclopentan-1-imine
PubChem CID171107441
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S)-2-(methoxymethyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCC[C@@H]1COC
InChIInChI=1S/C7H13NO/c1-9-5-6-3-2-4-7(6)8/h6,8H,2-5H2,1H3/b8-7+/t6-/m1/s1
InChIKeyIDEBVNJJXMGCFB-UCTBAKFRSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)cyclopentan-1-imine?
The IUPAC name of (2S)-2-(methoxymethyl)cyclopentan-1-imine (CID 171107441) is (2S)-2-(methoxymethyl)cyclopentan-1-imine.
What is the SMILES notation for (2S)-2-(methoxymethyl)cyclopentan-1-imine?
The canonical SMILES for (2S)-2-(methoxymethyl)cyclopentan-1-imine is [H]/N=C1\CCC[C@@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)cyclopentan-1-imine?
The InChIKey is IDEBVNJJXMGCFB-UCTBAKFRSA-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+/t6-/m1/s1.
What are the key properties of (2S)-2-(methoxymethyl)cyclopentan-1-imine?
(2S)-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 (2S)-2-(methoxymethyl)cyclopentan-1-imine is sourced from PubChem (CID 171107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).