methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine

C10H25N3O — CID 142465533

IUPACmethyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine
SMILESCCNC.CO/C=N/CCCN(C)C
InChIInChI=1S/C7H16N2O.C3H9N/c1-9(2)6-4-5-8-7-10-3;1-3-4-2/h7H,4-6H2,1-3H3;4H,3H2,1-2H3/b8-7+;
InChIKeyJVLXMQDUQUKQGP-USRGLUTNSA-N
MW203.33 g/mol
LogP0.84
Rot. Bonds6

About methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine

methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine (PubChem CID 142465533) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine.

Molecular Properties

Compound Namemethyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine
PubChem CID142465533
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Namemethyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine
SMILESCCNC.CO/C=N/CCCN(C)C
InChIInChI=1S/C7H16N2O.C3H9N/c1-9(2)6-4-5-8-7-10-3;1-3-4-2/h7H,4-6H2,1-3H3;4H,3H2,1-2H3/b8-7+;
InChIKeyJVLXMQDUQUKQGP-USRGLUTNSA-N
XLogP0.84
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine 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 methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine?
The IUPAC name of methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine (CID 142465533) is methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine.
What is the SMILES notation for methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine?
The canonical SMILES for methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine is CCNC.CO/C=N/CCCN(C)C.
What is the InChIKey of methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine?
The InChIKey is JVLXMQDUQUKQGP-USRGLUTNSA-N. The full InChI is InChI=1S/C7H16N2O.C3H9N/c1-9(2)6-4-5-8-7-10-3;1-3-4-2/h7H,4-6H2,1-3H3;4H,3H2,1-2H3/b8-7+;.
What are the key properties of methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine?
methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine has a molecular weight of 203.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(dimethylamino)propyl]methanimidate;N-methylethanamine is sourced from PubChem (CID 142465533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).