2-propan-2-ylidenecyclohexan-1-imine

C9H15N — CID 143539685

IUPAC2-propan-2-ylidenecyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h10H,3-6H2,1-2H3/b10-9+
InChIKeyKCFMQNZXEIDCFI-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.92
Rot. Bonds

About 2-propan-2-ylidenecyclohexan-1-imine

2-propan-2-ylidenecyclohexan-1-imine (PubChem CID 143539685) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-propan-2-ylidenecyclohexan-1-imine.

Molecular Properties

Compound Name2-propan-2-ylidenecyclohexan-1-imine
PubChem CID143539685
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-propan-2-ylidenecyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h10H,3-6H2,1-2H3/b10-9+
InChIKeyKCFMQNZXEIDCFI-MDZDMXLPSA-N
XLogP2.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-propan-2-ylidenecyclohexan-1-imine?
The IUPAC name of 2-propan-2-ylidenecyclohexan-1-imine (CID 143539685) is 2-propan-2-ylidenecyclohexan-1-imine.
What is the SMILES notation for 2-propan-2-ylidenecyclohexan-1-imine?
The canonical SMILES for 2-propan-2-ylidenecyclohexan-1-imine is [H]/N=C1\CCCCC1=C(C)C.
What is the InChIKey of 2-propan-2-ylidenecyclohexan-1-imine?
The InChIKey is KCFMQNZXEIDCFI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)8-5-3-4-6-9(8)10/h10H,3-6H2,1-2H3/b10-9+.
What are the key properties of 2-propan-2-ylidenecyclohexan-1-imine?
2-propan-2-ylidenecyclohexan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenecyclohexan-1-imine is sourced from PubChem (CID 143539685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).