N'-tert-butyl-N-cyclopentylmethanediimine

C10H18N2 — CID 44613172

IUPACN'-tert-butyl-N-cyclopentylmethanediimine
SMILESCC(C)(C)N=C=NC1CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-8-11-9-6-4-5-7-9/h9H,4-7H2,1-3H3
InChIKeyQKWMFOCPBPULRF-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.90
Rot. Bonds1

About N'-tert-butyl-N-cyclopentylmethanediimine

N'-tert-butyl-N-cyclopentylmethanediimine (PubChem CID 44613172) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-tert-butyl-N-cyclopentylmethanediimine.

Molecular Properties

Compound NameN'-tert-butyl-N-cyclopentylmethanediimine
PubChem CID44613172
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-tert-butyl-N-cyclopentylmethanediimine
SMILESCC(C)(C)N=C=NC1CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)12-8-11-9-6-4-5-7-9/h9H,4-7H2,1-3H3
InChIKeyQKWMFOCPBPULRF-UHFFFAOYSA-N
XLogP2.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-tert-butyl-N-cyclopentylmethanediimine?
The IUPAC name of N'-tert-butyl-N-cyclopentylmethanediimine (CID 44613172) is N'-tert-butyl-N-cyclopentylmethanediimine.
What is the SMILES notation for N'-tert-butyl-N-cyclopentylmethanediimine?
The canonical SMILES for N'-tert-butyl-N-cyclopentylmethanediimine is CC(C)(C)N=C=NC1CCCC1.
What is the InChIKey of N'-tert-butyl-N-cyclopentylmethanediimine?
The InChIKey is QKWMFOCPBPULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)12-8-11-9-6-4-5-7-9/h9H,4-7H2,1-3H3.
What are the key properties of N'-tert-butyl-N-cyclopentylmethanediimine?
N'-tert-butyl-N-cyclopentylmethanediimine has a molecular weight of 166.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-cyclopentylmethanediimine is sourced from PubChem (CID 44613172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).