N-(2,3-dimethylbutyl)but-3-en-2-imine

C10H19N — CID 170374287

IUPACN-(2,3-dimethylbutyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC(C)C(C)C
InChIInChI=1S/C10H19N/c1-6-10(5)11-7-9(4)8(2)3/h6,8-9H,1,7H2,2-5H3/b11-10+
InChIKeyLAEFINPDWPWXRS-ZHACJKMWSA-N
MW153.27 g/mol
LogP2.93
Rot. Bonds4

About N-(2,3-dimethylbutyl)but-3-en-2-imine

N-(2,3-dimethylbutyl)but-3-en-2-imine (PubChem CID 170374287) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)but-3-en-2-imine
PubChem CID170374287
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2,3-dimethylbutyl)but-3-en-2-imine
SMILESC=C/C(C)=N/CC(C)C(C)C
InChIInChI=1S/C10H19N/c1-6-10(5)11-7-9(4)8(2)3/h6,8-9H,1,7H2,2-5H3/b11-10+
InChIKeyLAEFINPDWPWXRS-ZHACJKMWSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.93
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-(2,3-dimethylbutyl)but-3-en-2-imine?
The IUPAC name of N-(2,3-dimethylbutyl)but-3-en-2-imine (CID 170374287) is N-(2,3-dimethylbutyl)but-3-en-2-imine.
What is the SMILES notation for N-(2,3-dimethylbutyl)but-3-en-2-imine?
The canonical SMILES for N-(2,3-dimethylbutyl)but-3-en-2-imine is C=C/C(C)=N/CC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)but-3-en-2-imine?
The InChIKey is LAEFINPDWPWXRS-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N/c1-6-10(5)11-7-9(4)8(2)3/h6,8-9H,1,7H2,2-5H3/b11-10+.
What are the key properties of N-(2,3-dimethylbutyl)but-3-en-2-imine?
N-(2,3-dimethylbutyl)but-3-en-2-imine has a molecular weight of 153.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)but-3-en-2-imine is sourced from PubChem (CID 170374287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).