3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine

C10H17N — CID 155737146

IUPAC3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
SMILESC=C(C)/N=C/C(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-8(2)11-7-9(3)10(4,5)6/h7H,1,3H2,2,4-6H3/b11-7+
InChIKeyMFFXWKKFZBDMAL-YRNVUSSQSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds2

About 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine

3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine (PubChem CID 155737146) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
PubChem CID155737146
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
SMILESC=C(C)/N=C/C(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-8(2)11-7-9(3)10(4,5)6/h7H,1,3H2,2,4-6H3/b11-7+
InChIKeyMFFXWKKFZBDMAL-YRNVUSSQSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The IUPAC name of 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine (CID 155737146) is 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The canonical SMILES for 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine is C=C(C)/N=C/C(=C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
The InChIKey is MFFXWKKFZBDMAL-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)11-7-9(3)10(4,5)6/h7H,1,3H2,2,4-6H3/b11-7+.
What are the key properties of 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine?
3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine is sourced from PubChem (CID 155737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).