N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine

C11H23N — CID 58200085

IUPACN-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/CCC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)7-8-12-9-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+
InChIKeyMJFRUIRUXIXDNA-FMIVXFBMSA-N
MW169.31 g/mol
LogP3.54
Rot. Bonds2

About N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine

N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine (PubChem CID 58200085) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine
PubChem CID58200085
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/CCC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)7-8-12-9-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+
InChIKeyMJFRUIRUXIXDNA-FMIVXFBMSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.54
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-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine?
The IUPAC name of N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine (CID 58200085) is N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine is CC(C)(C)/C=N/CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine?
The InChIKey is MJFRUIRUXIXDNA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)7-8-12-9-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+.
What are the key properties of N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine?
N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine has a molecular weight of 169.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 58200085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).