4-pentoxycyclohexan-1-imine

C11H21NO — CID 142613044

IUPAC4-pentoxycyclohexan-1-imine
SMILES[H]N=C1CCC(OCCCCC)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h11-12H,2-9H2,1H3/b12-10-
InChIKeyZYOBQDVRBMDYIU-BENRWUELSA-N
MW183.29 g/mol
LogP3.16
Rot. Bonds5

About 4-pentoxycyclohexan-1-imine

4-pentoxycyclohexan-1-imine (PubChem CID 142613044) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-pentoxycyclohexan-1-imine.

Molecular Properties

Compound Name4-pentoxycyclohexan-1-imine
PubChem CID142613044
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-pentoxycyclohexan-1-imine
SMILES[H]N=C1CCC(OCCCCC)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h11-12H,2-9H2,1H3/b12-10-
InChIKeyZYOBQDVRBMDYIU-BENRWUELSA-N
XLogP3.16
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentoxycyclohexan-1-imine?
The IUPAC name of 4-pentoxycyclohexan-1-imine (CID 142613044) is 4-pentoxycyclohexan-1-imine.
What is the SMILES notation for 4-pentoxycyclohexan-1-imine?
The canonical SMILES for 4-pentoxycyclohexan-1-imine is [H]N=C1CCC(OCCCCC)CC1.
What is the InChIKey of 4-pentoxycyclohexan-1-imine?
The InChIKey is ZYOBQDVRBMDYIU-BENRWUELSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h11-12H,2-9H2,1H3/b12-10-.
What are the key properties of 4-pentoxycyclohexan-1-imine?
4-pentoxycyclohexan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxycyclohexan-1-imine is sourced from PubChem (CID 142613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).