4-methoxycyclohexan-1-imine

C7H13NO — CID 147478902

IUPAC4-methoxycyclohexan-1-imine
SMILES[H]N=C1CCC(OC)CC1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h7-8H,2-5H2,1H3/b8-6-
InChIKeyFDFROLKPXWCQHN-VURMDHGXSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds1

About 4-methoxycyclohexan-1-imine

4-methoxycyclohexan-1-imine (PubChem CID 147478902) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name4-methoxycyclohexan-1-imine
PubChem CID147478902
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methoxycyclohexan-1-imine
SMILES[H]N=C1CCC(OC)CC1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h7-8H,2-5H2,1H3/b8-6-
InChIKeyFDFROLKPXWCQHN-VURMDHGXSA-N
XLogP1.60
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
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

Cyclohexyl ethanimidate
CID 15777991
1-(Oxiran-2-yl)butan-1-imine
CID 88487276
4-Methoxycyclohexane-1,2-diimine
CID 90965637
1-Cyclohexyloxypropan-2-imine
CID 139460389
4-Pentoxycyclohexan-1-imine
CID 142613044
4-Methoxypentan-2-imine
CID 153685632
(5S)-5-methoxyhexan-2-imine
CID 163644460
2-Methyloxan-4-imine
CID 164044884
N-chloro-4-methoxycyclohexan-1-imine
CID 172355098
2-Methoxyhexan-3-imine
CID 173847105
(4S)-4-methoxyhexan-3-imine
CID 174568026
2-Methoxycyclohexan-1-imine
CID 177227182

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexan-1-imine?
The IUPAC name of 4-methoxycyclohexan-1-imine (CID 147478902) is 4-methoxycyclohexan-1-imine.
What is the SMILES notation for 4-methoxycyclohexan-1-imine?
The canonical SMILES for 4-methoxycyclohexan-1-imine is [H]N=C1CCC(OC)CC1.
What is the InChIKey of 4-methoxycyclohexan-1-imine?
The InChIKey is FDFROLKPXWCQHN-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h7-8H,2-5H2,1H3/b8-6-.
What are the key properties of 4-methoxycyclohexan-1-imine?
4-methoxycyclohexan-1-imine has a molecular weight of 127.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohexan-1-imine is sourced from PubChem (CID 147478902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).