N-(1-methoxy-2-methylpropyl)-N-methylformamide

C7H15NO2 — CID 10701948

IUPACN-(1-methoxy-2-methylpropyl)-N-methylformamide
SMILESCOC(C(C)C)N(C)C=O
InChIInChI=1S/C7H15NO2/c1-6(2)7(10-4)8(3)5-9/h5-7H,1-4H3
InChIKeySELPVRPHZZHTGU-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.70
Rot. Bonds4

About N-(1-methoxy-2-methylpropyl)-N-methylformamide

N-(1-methoxy-2-methylpropyl)-N-methylformamide (PubChem CID 10701948) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropyl)-N-methylformamide
PubChem CID10701948
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-methoxy-2-methylpropyl)-N-methylformamide
SMILESCOC(C(C)C)N(C)C=O
InChIInChI=1S/C7H15NO2/c1-6(2)7(10-4)8(3)5-9/h5-7H,1-4H3
InChIKeySELPVRPHZZHTGU-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-methoxy-2-methylpropyl)-N-methylformamide 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-(1-methoxy-2-methylpropyl)-N-methylformamide?
The IUPAC name of N-(1-methoxy-2-methylpropyl)-N-methylformamide (CID 10701948) is N-(1-methoxy-2-methylpropyl)-N-methylformamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropyl)-N-methylformamide?
The canonical SMILES for N-(1-methoxy-2-methylpropyl)-N-methylformamide is COC(C(C)C)N(C)C=O.
What is the InChIKey of N-(1-methoxy-2-methylpropyl)-N-methylformamide?
The InChIKey is SELPVRPHZZHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)7(10-4)8(3)5-9/h5-7H,1-4H3.
What are the key properties of N-(1-methoxy-2-methylpropyl)-N-methylformamide?
N-(1-methoxy-2-methylpropyl)-N-methylformamide has a molecular weight of 145.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropyl)-N-methylformamide is sourced from PubChem (CID 10701948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).