N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine

C11H19N — CID 123222219

IUPACN-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine
SMILESCC/C=N/C(C)=C1\CCCC1C
InChIInChI=1S/C11H19N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h8-9H,4-7H2,1-3H3/b11-10+,12-8+
InChIKeySAGYRDUJIIYCDT-HKCCEGKBSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds2

About N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine

N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine (PubChem CID 123222219) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine
PubChem CID123222219
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine
SMILESCC/C=N/C(C)=C1\CCCC1C
InChIInChI=1S/C11H19N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h8-9H,4-7H2,1-3H3/b11-10+,12-8+
InChIKeySAGYRDUJIIYCDT-HKCCEGKBSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
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-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine?
The IUPAC name of N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine (CID 123222219) is N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine.
What is the SMILES notation for N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine?
The canonical SMILES for N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine is CC/C=N/C(C)=C1\CCCC1C.
What is the InChIKey of N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine?
The InChIKey is SAGYRDUJIIYCDT-HKCCEGKBSA-N. The full InChI is InChI=1S/C11H19N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h8-9H,4-7H2,1-3H3/b11-10+,12-8+.
What are the key properties of N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine?
N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine is sourced from PubChem (CID 123222219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).