N-tert-butyl-1-(1-methylcyclopentyl)methanimine

C11H21N — CID 11019239

IUPACN-tert-butyl-1-(1-methylcyclopentyl)methanimine
SMILESCC1(/C=N/C(C)(C)C)CCCC1
InChIInChI=1S/C11H21N/c1-10(2,3)12-9-11(4)7-5-6-8-11/h9H,5-8H2,1-4H3/b12-9+
InChIKeyQPHYNQLQSAOYHL-FMIVXFBMSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds1

About N-tert-butyl-1-(1-methylcyclopentyl)methanimine

N-tert-butyl-1-(1-methylcyclopentyl)methanimine (PubChem CID 11019239) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-tert-butyl-1-(1-methylcyclopentyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-methylcyclopentyl)methanimine
PubChem CID11019239
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-tert-butyl-1-(1-methylcyclopentyl)methanimine
SMILESCC1(/C=N/C(C)(C)C)CCCC1
InChIInChI=1S/C11H21N/c1-10(2,3)12-9-11(4)7-5-6-8-11/h9H,5-8H2,1-4H3/b12-9+
InChIKeyQPHYNQLQSAOYHL-FMIVXFBMSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.44
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-tert-butyl-1-(1-methylcyclopentyl)methanimine?
The IUPAC name of N-tert-butyl-1-(1-methylcyclopentyl)methanimine (CID 11019239) is N-tert-butyl-1-(1-methylcyclopentyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1-methylcyclopentyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1-methylcyclopentyl)methanimine is CC1(/C=N/C(C)(C)C)CCCC1.
What is the InChIKey of N-tert-butyl-1-(1-methylcyclopentyl)methanimine?
The InChIKey is QPHYNQLQSAOYHL-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)12-9-11(4)7-5-6-8-11/h9H,5-8H2,1-4H3/b12-9+.
What are the key properties of N-tert-butyl-1-(1-methylcyclopentyl)methanimine?
N-tert-butyl-1-(1-methylcyclopentyl)methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-methylcyclopentyl)methanimine is sourced from PubChem (CID 11019239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).