N-(3-cyclohexylprop-2-enyl)methanimine

C10H17N — CID 70547811

IUPACN-(3-cyclohexylprop-2-enyl)methanimine
SMILESC=NCC=CC1CCCCC1
InChIInChI=1S/C10H17N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,1-4,6-7,9H2
InChIKeyBUIRRKAPUOVICD-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds3

About N-(3-cyclohexylprop-2-enyl)methanimine

N-(3-cyclohexylprop-2-enyl)methanimine (PubChem CID 70547811) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(3-cyclohexylprop-2-enyl)methanimine.

Molecular Properties

Compound NameN-(3-cyclohexylprop-2-enyl)methanimine
PubChem CID70547811
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(3-cyclohexylprop-2-enyl)methanimine
SMILESC=NCC=CC1CCCCC1
InChIInChI=1S/C10H17N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,1-4,6-7,9H2
InChIKeyBUIRRKAPUOVICD-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
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 N-(3-cyclohexylprop-2-enyl)methanimine?
The IUPAC name of N-(3-cyclohexylprop-2-enyl)methanimine (CID 70547811) is N-(3-cyclohexylprop-2-enyl)methanimine.
What is the SMILES notation for N-(3-cyclohexylprop-2-enyl)methanimine?
The canonical SMILES for N-(3-cyclohexylprop-2-enyl)methanimine is C=NCC=CC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylprop-2-enyl)methanimine?
The InChIKey is BUIRRKAPUOVICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,1-4,6-7,9H2.
What are the key properties of N-(3-cyclohexylprop-2-enyl)methanimine?
N-(3-cyclohexylprop-2-enyl)methanimine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylprop-2-enyl)methanimine is sourced from PubChem (CID 70547811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).