N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine

C13H20N2O — CID 110507385

IUPACN-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
SMILESCC(C)COc1ccccc1/C=N/N(C)C
InChIInChI=1S/C13H20N2O/c1-11(2)10-16-13-8-6-5-7-12(13)9-14-15(3)4/h5-9,11H,10H2,1-4H3/b14-9+
InChIKeyUDNLKYINTCVUBN-NTEUORMPSA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine

N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine (PubChem CID 110507385) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
PubChem CID110507385
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
SMILESCC(C)COc1ccccc1/C=N/N(C)C
InChIInChI=1S/C13H20N2O/c1-11(2)10-16-13-8-6-5-7-12(13)9-14-15(3)4/h5-9,11H,10H2,1-4H3/b14-9+
InChIKeyUDNLKYINTCVUBN-NTEUORMPSA-N
XLogP2.62
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 124605391
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
CID 110339528
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
4-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7710582
trimethyl-[2-[2-(2-methylpropoxy)phenyl]ethenoxy]silane
CID 68879621
N-cyclopropyl-N-methyl-2-(2-methylpropoxy)aniline
CID 174767735
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
N-[(E)-[3,5-dichloro-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methylmethanamine
CID 110507434
1-cyclohexyl-3-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 110536885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine (CID 110507385) is N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine is CC(C)COc1ccccc1/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine?
The InChIKey is UDNLKYINTCVUBN-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(2)10-16-13-8-6-5-7-12(13)9-14-15(3)4/h5-9,11H,10H2,1-4H3/b14-9+.
What are the key properties of N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine?
N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine is sourced from PubChem (CID 110507385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).