N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide

C12H19N7O — CID 168602315

IUPACN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C12H19N7O/c1-19(2)7-10(20)16-8-4-3-5-9(6-8)17-12(15)18-11(13)14/h3-6H,7H2,1-2H3,(H,16,20)(H6,13,14,15,17,18)
InChIKeyOFKMEQDCUZOXLZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.59
Rot. Bonds4

About N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide

N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide (PubChem CID 168602315) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
PubChem CID168602315
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C12H19N7O/c1-19(2)7-10(20)16-8-4-3-5-9(6-8)17-12(15)18-11(13)14/h3-6H,7H2,1-2H3,(H,16,20)(H6,13,14,15,17,18)
InChIKeyOFKMEQDCUZOXLZ-UHFFFAOYSA-N
XLogP-0.59
TPSA135.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-(3-nitrosophenyl)-3-oxobutanamide
CID 163535086
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169365615
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
CID 19599246
5-[[3-[[amino-(diaminomethylideneamino)methylidene]amino]benzoyl]amino]-2-hydroxybenzoic acid
CID 168604737
(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
CID 131922859
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide (CID 168602315) is N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cccc(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is OFKMEQDCUZOXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-19(2)7-10(20)16-8-4-3-5-9(6-8)17-12(15)18-11(13)14/h3-6H,7H2,1-2H3,(H,16,20)(H6,13,14,15,17,18).
What are the key properties of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide?
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 277.33 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 168602315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).