N-iodo-4-propan-2-ylidenecyclohexan-1-imine

C9H14IN — CID 170279940

IUPACN-iodo-4-propan-2-ylidenecyclohexan-1-imine
SMILESCC(C)=C1CCC(=NI)CC1
InChIInChI=1S/C9H14IN/c1-7(2)8-3-5-9(11-10)6-4-8/h3-6H2,1-2H3
InChIKeyMMSWLCXRNWHISU-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.69
Rot. Bonds

About N-iodo-4-propan-2-ylidenecyclohexan-1-imine

N-iodo-4-propan-2-ylidenecyclohexan-1-imine (PubChem CID 170279940) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is N-iodo-4-propan-2-ylidenecyclohexan-1-imine.

Molecular Properties

Compound NameN-iodo-4-propan-2-ylidenecyclohexan-1-imine
PubChem CID170279940
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC NameN-iodo-4-propan-2-ylidenecyclohexan-1-imine
SMILESCC(C)=C1CCC(=NI)CC1
InChIInChI=1S/C9H14IN/c1-7(2)8-3-5-9(11-10)6-4-8/h3-6H2,1-2H3
InChIKeyMMSWLCXRNWHISU-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-4-propan-2-ylidenecyclohexan-1-imine?
The IUPAC name of N-iodo-4-propan-2-ylidenecyclohexan-1-imine (CID 170279940) is N-iodo-4-propan-2-ylidenecyclohexan-1-imine.
What is the SMILES notation for N-iodo-4-propan-2-ylidenecyclohexan-1-imine?
The canonical SMILES for N-iodo-4-propan-2-ylidenecyclohexan-1-imine is CC(C)=C1CCC(=NI)CC1.
What is the InChIKey of N-iodo-4-propan-2-ylidenecyclohexan-1-imine?
The InChIKey is MMSWLCXRNWHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN/c1-7(2)8-3-5-9(11-10)6-4-8/h3-6H2,1-2H3.
What are the key properties of N-iodo-4-propan-2-ylidenecyclohexan-1-imine?
N-iodo-4-propan-2-ylidenecyclohexan-1-imine has a molecular weight of 263.12 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-propan-2-ylidenecyclohexan-1-imine is sourced from PubChem (CID 170279940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).