N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide

C12H20N4 — CID 143775302

IUPACN-(4-aminoanilino)-N',2,2-trimethylpropanimidamide
SMILESC/N=C(/NNc1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C12H20N4/c1-12(2,3)11(14-4)16-15-10-7-5-9(13)6-8-10/h5-8,15H,13H2,1-4H3,(H,14,16)
InChIKeyKXWYZQGJUXBGFK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.26
Rot. Bonds2

About N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide

N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide (PubChem CID 143775302) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN-(4-aminoanilino)-N',2,2-trimethylpropanimidamide
PubChem CID143775302
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(4-aminoanilino)-N',2,2-trimethylpropanimidamide
SMILESC/N=C(/NNc1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C12H20N4/c1-12(2,3)11(14-4)16-15-10-7-5-9(13)6-8-10/h5-8,15H,13H2,1-4H3,(H,14,16)
InChIKeyKXWYZQGJUXBGFK-UHFFFAOYSA-N
XLogP2.26
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide 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-(4-aminoanilino)propane-2,2-diol
CID 67103383
N-(4-aminophenyl)hydroxylamine;ethane
CID 23345368
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
CID 160920367
2-(4-aminoanilino)-1,1-dimethylguanidine
CID 54073540
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
N'-(4-aminophenyl)-2-chlorobenzohydrazide
CID 21427839
4-N-(2,2-difluoropropyl)benzene-1,4-diamine
CID 154216911
tert-butyl 2-(4-aminoanilino)propanoate;dihydrochloride
CID 69204508
4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline
CID 150842460
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
N-(4-cyanoanilino)-N'-(4-cyanophenyl)-3,3-dimethyl-2-oxobutanimidamide
CID 68913055

Frequently Asked Questions

What is the IUPAC name of N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide?
The IUPAC name of N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide (CID 143775302) is N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide.
What is the SMILES notation for N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide?
The canonical SMILES for N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide is C/N=C(/NNc1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide?
The InChIKey is KXWYZQGJUXBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2,3)11(14-4)16-15-10-7-5-9(13)6-8-10/h5-8,15H,13H2,1-4H3,(H,14,16).
What are the key properties of N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide?
N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoanilino)-N',2,2-trimethylpropanimidamide is sourced from PubChem (CID 143775302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).