N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide

C10H14N4O — CID 174333804

IUPACN-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cccc1N=C(N)N
InChIInChI=1S/C10H14N4O/c1-6-4-3-5-8(14-10(11)12)9(6)13-7(2)15/h3-5H,1-2H3,(H,13,15)(H4,11,12,14)
InChIKeyPJCRBOYRIMLVNO-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.86
Rot. Bonds2

About N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide

N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide (PubChem CID 174333804) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide
PubChem CID174333804
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cccc1N=C(N)N
InChIInChI=1S/C10H14N4O/c1-6-4-3-5-8(14-10(11)12)9(6)13-7(2)15/h3-5H,1-2H3,(H,13,15)(H4,11,12,14)
InChIKeyPJCRBOYRIMLVNO-UHFFFAOYSA-N
XLogP0.86
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
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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Related Compounds

2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
N-(3-isocyanato-2,6-dimethylphenyl)acetamide
CID 169353390
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide (CID 174333804) is N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide is CC(=O)Nc1c(C)cccc1N=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide?
The InChIKey is PJCRBOYRIMLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-4-3-5-8(14-10(11)12)9(6)13-7(2)15/h3-5H,1-2H3,(H,13,15)(H4,11,12,14).
What are the key properties of N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide?
N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide is sourced from PubChem (CID 174333804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).