N,3,3-trimethyl-2-methylidenebutan-1-imine

C8H15N — CID 123783531

IUPACN,3,3-trimethyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(6-9-5)8(2,3)4/h6H,1H2,2-5H3/b9-6+
InChIKeyYAYKJQPZUMHYQQ-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds1

About N,3,3-trimethyl-2-methylidenebutan-1-imine

N,3,3-trimethyl-2-methylidenebutan-1-imine (PubChem CID 123783531) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,3,3-trimethyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN,3,3-trimethyl-2-methylidenebutan-1-imine
PubChem CID123783531
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,3,3-trimethyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(6-9-5)8(2,3)4/h6H,1H2,2-5H3/b9-6+
InChIKeyYAYKJQPZUMHYQQ-RMKNXTFCSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,3,3-trimethyl-2-methylidenebutan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-methylidenebutan-1-imine?
The IUPAC name of N,3,3-trimethyl-2-methylidenebutan-1-imine (CID 123783531) is N,3,3-trimethyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N,3,3-trimethyl-2-methylidenebutan-1-imine?
The canonical SMILES for N,3,3-trimethyl-2-methylidenebutan-1-imine is C=C(/C=N/C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-2-methylidenebutan-1-imine?
The InChIKey is YAYKJQPZUMHYQQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-7(6-9-5)8(2,3)4/h6H,1H2,2-5H3/b9-6+.
What are the key properties of N,3,3-trimethyl-2-methylidenebutan-1-imine?
N,3,3-trimethyl-2-methylidenebutan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 123783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).