N-cyclopentylhexan-2-imine

C11H21N — CID 91189713

IUPACN-cyclopentylhexan-2-imine
SMILESCCCC/C(C)=N/C1CCCC1
InChIInChI=1S/C11H21N/c1-3-4-7-10(2)12-11-8-5-6-9-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyYNJSCTTYUPMXCC-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.58
Rot. Bonds4

About N-cyclopentylhexan-2-imine

N-cyclopentylhexan-2-imine (PubChem CID 91189713) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-cyclopentylhexan-2-imine.

Molecular Properties

Compound NameN-cyclopentylhexan-2-imine
PubChem CID91189713
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-cyclopentylhexan-2-imine
SMILESCCCC/C(C)=N/C1CCCC1
InChIInChI=1S/C11H21N/c1-3-4-7-10(2)12-11-8-5-6-9-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyYNJSCTTYUPMXCC-ZRDIBKRKSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.58
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-cyclopentylhexan-2-imine?
The IUPAC name of N-cyclopentylhexan-2-imine (CID 91189713) is N-cyclopentylhexan-2-imine.
What is the SMILES notation for N-cyclopentylhexan-2-imine?
The canonical SMILES for N-cyclopentylhexan-2-imine is CCCC/C(C)=N/C1CCCC1.
What is the InChIKey of N-cyclopentylhexan-2-imine?
The InChIKey is YNJSCTTYUPMXCC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-7-10(2)12-11-8-5-6-9-11/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of N-cyclopentylhexan-2-imine?
N-cyclopentylhexan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylhexan-2-imine is sourced from PubChem (CID 91189713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).