N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide

C18H22N4 — CID 124927893

IUPACN-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
SMILESCN(/C=N/c1ccccc1)CCN(C)/C=N/c1ccccc1
InChIInChI=1S/C18H22N4/c1-21(15-19-17-9-5-3-6-10-17)13-14-22(2)16-20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/b19-15+,20-16+
InChIKeyUNZSMPMSHLQFJB-MXWIWYRXSA-N
MW294.40 g/mol
LogP3.57
Rot. Bonds7

About N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide

N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide (PubChem CID 124927893) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
PubChem CID124927893
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
SMILESCN(/C=N/c1ccccc1)CCN(C)/C=N/c1ccccc1
InChIInChI=1S/C18H22N4/c1-21(15-19-17-9-5-3-6-10-17)13-14-22(2)16-20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/b19-15+,20-16+
InChIKeyUNZSMPMSHLQFJB-MXWIWYRXSA-N
XLogP3.57
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide?
The IUPAC name of N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide (CID 124927893) is N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide.
What is the SMILES notation for N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide?
The canonical SMILES for N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide is CN(/C=N/c1ccccc1)CCN(C)/C=N/c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide?
The InChIKey is UNZSMPMSHLQFJB-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H22N4/c1-21(15-19-17-9-5-3-6-10-17)13-14-22(2)16-20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/b19-15+,20-16+.
What are the key properties of N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide?
N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide has a molecular weight of 294.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide is sourced from PubChem (CID 124927893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).