3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine

C13H23N — CID 126592683

IUPAC3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine
SMILESC=C(/C=N/C(=C\C)C(C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-8-12(10(2)3)14-9-11(4)13(5,6)7/h8-10H,4H2,1-3,5-7H3/b12-8-,14-9+
InChIKeyJJKVMOMZOAPHOQ-WNEGCBGQSA-N
MW193.33 g/mol
LogP4.22
Rot. Bonds3

About 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine

3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine (PubChem CID 126592683) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine
PubChem CID126592683
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine
SMILESC=C(/C=N/C(=C\C)C(C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-8-12(10(2)3)14-9-11(4)13(5,6)7/h8-10H,4H2,1-3,5-7H3/b12-8-,14-9+
InChIKeyJJKVMOMZOAPHOQ-WNEGCBGQSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.22
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-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine?
The IUPAC name of 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine (CID 126592683) is 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine?
The canonical SMILES for 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine is C=C(/C=N/C(=C\C)C(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine?
The InChIKey is JJKVMOMZOAPHOQ-WNEGCBGQSA-N. The full InChI is InChI=1S/C13H23N/c1-8-12(10(2)3)14-9-11(4)13(5,6)7/h8-10H,4H2,1-3,5-7H3/b12-8-,14-9+.
What are the key properties of 3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine?
3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.22, 3 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-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine is sourced from PubChem (CID 126592683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).