N-(3,3-dimethylbut-1-en-2-yl)methanimine

C7H13N — CID 123979209

IUPACN-(3,3-dimethylbut-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)(C)C
InChIInChI=1S/C7H13N/c1-6(8-5)7(2,3)4/h1,5H2,2-4H3
InChIKeyUKJAJEHSVLWZSM-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds1

About N-(3,3-dimethylbut-1-en-2-yl)methanimine

N-(3,3-dimethylbut-1-en-2-yl)methanimine (PubChem CID 123979209) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)methanimine
PubChem CID123979209
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)(C)C
InChIInChI=1S/C7H13N/c1-6(8-5)7(2,3)4/h1,5H2,2-4H3
InChIKeyUKJAJEHSVLWZSM-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.25
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-dimethylbut-1-en-2-yl)methanimine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)methanimine (CID 123979209) is N-(3,3-dimethylbut-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)methanimine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)methanimine is C=NC(=C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)methanimine?
The InChIKey is UKJAJEHSVLWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(8-5)7(2,3)4/h1,5H2,2-4H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)methanimine?
N-(3,3-dimethylbut-1-en-2-yl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)methanimine is sourced from PubChem (CID 123979209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).