4-[(Z)-but-2-enyl]cyclohexan-1-imine

C10H17N — CID 89040034

IUPAC4-[(Z)-but-2-enyl]cyclohexan-1-imine
SMILES[H]N=C1CCC(C/C=C\C)CC1
InChIInChI=1S/C10H17N/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2-,11-10-
InChIKeyGAWQZRKCKLIJJJ-AWXIYCKCSA-N
MW151.25 g/mol
LogP3.16
Rot. Bonds2

About 4-[(Z)-but-2-enyl]cyclohexan-1-imine

4-[(Z)-but-2-enyl]cyclohexan-1-imine (PubChem CID 89040034) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]cyclohexan-1-imine.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]cyclohexan-1-imine
PubChem CID89040034
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-[(Z)-but-2-enyl]cyclohexan-1-imine
SMILES[H]N=C1CCC(C/C=C\C)CC1
InChIInChI=1S/C10H17N/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2-,11-10-
InChIKeyGAWQZRKCKLIJJJ-AWXIYCKCSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-enyl]cyclohexan-1-imine?
The IUPAC name of 4-[(Z)-but-2-enyl]cyclohexan-1-imine (CID 89040034) is 4-[(Z)-but-2-enyl]cyclohexan-1-imine.
What is the SMILES notation for 4-[(Z)-but-2-enyl]cyclohexan-1-imine?
The canonical SMILES for 4-[(Z)-but-2-enyl]cyclohexan-1-imine is [H]N=C1CCC(C/C=C\C)CC1.
What is the InChIKey of 4-[(Z)-but-2-enyl]cyclohexan-1-imine?
The InChIKey is GAWQZRKCKLIJJJ-AWXIYCKCSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,9,11H,4-8H2,1H3/b3-2-,11-10-.
What are the key properties of 4-[(Z)-but-2-enyl]cyclohexan-1-imine?
4-[(Z)-but-2-enyl]cyclohexan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]cyclohexan-1-imine is sourced from PubChem (CID 89040034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).