N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine

C13H20N2 — CID 12503107

IUPACN-methyl-N-[(E)-1-phenylpentylideneamino]methanamine
SMILESCCCC/C(=N\N(C)C)c1ccccc1
InChIInChI=1S/C13H20N2/c1-4-5-11-13(14-15(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13+
InChIKeyYMRXLIRRFANMDU-BUHFOSPRSA-N
MW204.32 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine

N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine (PubChem CID 12503107) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-phenylpentylideneamino]methanamine
PubChem CID12503107
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-N-[(E)-1-phenylpentylideneamino]methanamine
SMILESCCCC/C(=N\N(C)C)c1ccccc1
InChIInChI=1S/C13H20N2/c1-4-5-11-13(14-15(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13+
InChIKeyYMRXLIRRFANMDU-BUHFOSPRSA-N
XLogP3.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-phenylpentylideneamino]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-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
Acetophenone azine
CID 5484329
Acetophenone, dimethylhydrazone
CID 6172446
Benzhydrylidene methylamine
CID 576539
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538
Hydrazinium, 2-(alpha,3,4-trimethylbenzylidene)-1,1,1-trimethyl-, iodide
CID 5459342
Hydrazinium, 2-(alpha-methylbenzylidene)-1,1,1-trimethyl-, iodide
CID 9570518
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
(Z)-(1-phenylethylidene)hydrazine
CID 5486169
(1E)-1-(4-methylphenyl)ethanone hydrazone
CID 9677142
2-[1-(4-Ethylphenyl)ethylidene]hydrazinecarboximidamide
CID 6344338

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine (CID 12503107) is N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine is CCCC/C(=N\N(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine?
The InChIKey is YMRXLIRRFANMDU-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-11-13(14-15(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13+.
What are the key properties of N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine?
N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine has a molecular weight of 204.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-phenylpentylideneamino]methanamine is sourced from PubChem (CID 12503107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).