N-tert-butyl-2-methylpentan-3-imine

C10H21N — CID 12705448

IUPACN-tert-butyl-2-methylpentan-3-imine
SMILESCC/C(=N\C(C)(C)C)C(C)C
InChIInChI=1S/C10H21N/c1-7-9(8(2)3)11-10(4,5)6/h8H,7H2,1-6H3/b11-9+
InChIKeyNOCDOSBIFVVKNF-PKNBQFBNSA-N
MW155.28 g/mol
LogP3.29
Rot. Bonds2

About N-tert-butyl-2-methylpentan-3-imine

N-tert-butyl-2-methylpentan-3-imine (PubChem CID 12705448) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-tert-butyl-2-methylpentan-3-imine.

Molecular Properties

Compound NameN-tert-butyl-2-methylpentan-3-imine
PubChem CID12705448
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-tert-butyl-2-methylpentan-3-imine
SMILESCC/C(=N\C(C)(C)C)C(C)C
InChIInChI=1S/C10H21N/c1-7-9(8(2)3)11-10(4,5)6/h8H,7H2,1-6H3/b11-9+
InChIKeyNOCDOSBIFVVKNF-PKNBQFBNSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-methylpentan-3-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-tert-butyl-2-methylpentan-3-imine?
The IUPAC name of N-tert-butyl-2-methylpentan-3-imine (CID 12705448) is N-tert-butyl-2-methylpentan-3-imine.
What is the SMILES notation for N-tert-butyl-2-methylpentan-3-imine?
The canonical SMILES for N-tert-butyl-2-methylpentan-3-imine is CC/C(=N\C(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-methylpentan-3-imine?
The InChIKey is NOCDOSBIFVVKNF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N/c1-7-9(8(2)3)11-10(4,5)6/h8H,7H2,1-6H3/b11-9+.
What are the key properties of N-tert-butyl-2-methylpentan-3-imine?
N-tert-butyl-2-methylpentan-3-imine has a molecular weight of 155.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpentan-3-imine is sourced from PubChem (CID 12705448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).