N-(2-methylpropoxy)cyclopentanimine

C9H17NO — CID 58363214

IUPACN-(2-methylpropoxy)cyclopentanimine
SMILESCC(C)CON=C1CCCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-11-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyFTMULAWGSYREKF-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.59
Rot. Bonds3

About N-(2-methylpropoxy)cyclopentanimine

N-(2-methylpropoxy)cyclopentanimine (PubChem CID 58363214) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-methylpropoxy)cyclopentanimine.

Molecular Properties

Compound NameN-(2-methylpropoxy)cyclopentanimine
PubChem CID58363214
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-methylpropoxy)cyclopentanimine
SMILESCC(C)CON=C1CCCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-11-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyFTMULAWGSYREKF-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)cyclopentanimine?
The IUPAC name of N-(2-methylpropoxy)cyclopentanimine (CID 58363214) is N-(2-methylpropoxy)cyclopentanimine.
What is the SMILES notation for N-(2-methylpropoxy)cyclopentanimine?
The canonical SMILES for N-(2-methylpropoxy)cyclopentanimine is CC(C)CON=C1CCCC1.
What is the InChIKey of N-(2-methylpropoxy)cyclopentanimine?
The InChIKey is FTMULAWGSYREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-11-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)cyclopentanimine?
N-(2-methylpropoxy)cyclopentanimine has a molecular weight of 155.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)cyclopentanimine is sourced from PubChem (CID 58363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).