N-(1-cycloheptylethyl)but-3-en-2-imine

C13H23N — CID 87069900

IUPACN-(1-cycloheptylethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)C1CCCCCC1
InChIInChI=1S/C13H23N/c1-4-11(2)14-12(3)13-9-7-5-6-8-10-13/h4,12-13H,1,5-10H2,2-3H3/b14-11+
InChIKeyVBQKGMGJVHMXIN-SDNWHVSQSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds3

About N-(1-cycloheptylethyl)but-3-en-2-imine

N-(1-cycloheptylethyl)but-3-en-2-imine (PubChem CID 87069900) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cycloheptylethyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(1-cycloheptylethyl)but-3-en-2-imine
PubChem CID87069900
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cycloheptylethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)C1CCCCCC1
InChIInChI=1S/C13H23N/c1-4-11(2)14-12(3)13-9-7-5-6-8-10-13/h4,12-13H,1,5-10H2,2-3H3/b14-11+
InChIKeyVBQKGMGJVHMXIN-SDNWHVSQSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 N-(1-cycloheptylethyl)but-3-en-2-imine?
The IUPAC name of N-(1-cycloheptylethyl)but-3-en-2-imine (CID 87069900) is N-(1-cycloheptylethyl)but-3-en-2-imine.
What is the SMILES notation for N-(1-cycloheptylethyl)but-3-en-2-imine?
The canonical SMILES for N-(1-cycloheptylethyl)but-3-en-2-imine is C=C/C(C)=N/C(C)C1CCCCCC1.
What is the InChIKey of N-(1-cycloheptylethyl)but-3-en-2-imine?
The InChIKey is VBQKGMGJVHMXIN-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-4-11(2)14-12(3)13-9-7-5-6-8-10-13/h4,12-13H,1,5-10H2,2-3H3/b14-11+.
What are the key properties of N-(1-cycloheptylethyl)but-3-en-2-imine?
N-(1-cycloheptylethyl)but-3-en-2-imine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylethyl)but-3-en-2-imine is sourced from PubChem (CID 87069900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).