N-(2-ethyl-2-methylbutyl)butan-1-imine

C11H23N — CID 134546298

IUPACN-(2-ethyl-2-methylbutyl)butan-1-imine
SMILESCCC/C=N/CC(C)(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-9-12-10-11(4,6-2)7-3/h9H,5-8,10H2,1-4H3/b12-9+
InChIKeyRLQDNHOPOLOIOG-FMIVXFBMSA-N
MW169.31 g/mol
LogP3.68
Rot. Bonds6

About N-(2-ethyl-2-methylbutyl)butan-1-imine

N-(2-ethyl-2-methylbutyl)butan-1-imine (PubChem CID 134546298) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2-ethyl-2-methylbutyl)butan-1-imine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylbutyl)butan-1-imine
PubChem CID134546298
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2-ethyl-2-methylbutyl)butan-1-imine
SMILESCCC/C=N/CC(C)(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-9-12-10-11(4,6-2)7-3/h9H,5-8,10H2,1-4H3/b12-9+
InChIKeyRLQDNHOPOLOIOG-FMIVXFBMSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.68
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-(2-ethyl-2-methylbutyl)butan-1-imine?
The IUPAC name of N-(2-ethyl-2-methylbutyl)butan-1-imine (CID 134546298) is N-(2-ethyl-2-methylbutyl)butan-1-imine.
What is the SMILES notation for N-(2-ethyl-2-methylbutyl)butan-1-imine?
The canonical SMILES for N-(2-ethyl-2-methylbutyl)butan-1-imine is CCC/C=N/CC(C)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-methylbutyl)butan-1-imine?
The InChIKey is RLQDNHOPOLOIOG-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-9-12-10-11(4,6-2)7-3/h9H,5-8,10H2,1-4H3/b12-9+.
What are the key properties of N-(2-ethyl-2-methylbutyl)butan-1-imine?
N-(2-ethyl-2-methylbutyl)butan-1-imine has a molecular weight of 169.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylbutyl)butan-1-imine is sourced from PubChem (CID 134546298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).