3-methyl-2-methylidenebutan-1-imine

C6H11N — CID 58767681

IUPAC3-methyl-2-methylidenebutan-1-imine
SMILES[H]/N=C/C(=C)C(C)C
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7/h4-5,7H,3H2,1-2H3/b7-4+
InChIKeyGGHKRZJIXMFSNW-QPJJXVBHSA-N
MW97.16 g/mol
LogP1.85
Rot. Bonds2

About 3-methyl-2-methylidenebutan-1-imine

3-methyl-2-methylidenebutan-1-imine (PubChem CID 58767681) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidenebutan-1-imine
PubChem CID58767681
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methyl-2-methylidenebutan-1-imine
SMILES[H]/N=C/C(=C)C(C)C
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7/h4-5,7H,3H2,1-2H3/b7-4+
InChIKeyGGHKRZJIXMFSNW-QPJJXVBHSA-N
XLogP1.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-methyl-2-methylidenebutan-1-imine?
The IUPAC name of 3-methyl-2-methylidenebutan-1-imine (CID 58767681) is 3-methyl-2-methylidenebutan-1-imine.
What is the SMILES notation for 3-methyl-2-methylidenebutan-1-imine?
The canonical SMILES for 3-methyl-2-methylidenebutan-1-imine is [H]/N=C/C(=C)C(C)C.
What is the InChIKey of 3-methyl-2-methylidenebutan-1-imine?
The InChIKey is GGHKRZJIXMFSNW-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6(3)4-7/h4-5,7H,3H2,1-2H3/b7-4+.
What are the key properties of 3-methyl-2-methylidenebutan-1-imine?
3-methyl-2-methylidenebutan-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 58767681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).