N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine

C7H15NO — CID 129288647

IUPACN-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine
SMILESC=N[C@H](COC)C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h6-7H,3,5H2,1-2,4H3/t7-/m1/s1
InChIKeyCTDDYZDCAIAKLZ-SSDOTTSWSA-N
MW129.20 g/mol
LogP1.36
Rot. Bonds4

About N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine

N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine (PubChem CID 129288647) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine
PubChem CID129288647
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine
SMILESC=N[C@H](COC)C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h6-7H,3,5H2,1-2,4H3/t7-/m1/s1
InChIKeyCTDDYZDCAIAKLZ-SSDOTTSWSA-N
XLogP1.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine 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-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine?
The IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine (CID 129288647) is N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine?
The canonical SMILES for N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine is C=N[C@H](COC)C(C)C.
What is the InChIKey of N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine?
The InChIKey is CTDDYZDCAIAKLZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)7(8-3)5-9-4/h6-7H,3,5H2,1-2,4H3/t7-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine?
N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine has a molecular weight of 129.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-methylbutan-2-yl]methanimine is sourced from PubChem (CID 129288647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).