4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide

C15H24N6O — CID 24834253

IUPAC4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(/N=C(\N)N=C(N)N)cc1)C(C)C
InChIInChI=1S/C15H24N6O/c1-9(2)21(10(3)4)13(22)11-5-7-12(8-6-11)19-15(18)20-14(16)17/h5-10H,1-4H3,(H6,16,17,18,19,20)
InChIKeyRGTADCIYZPNXMP-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.17
Rot. Bonds4

About 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide

4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide (PubChem CID 24834253) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide
PubChem CID24834253
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(/N=C(\N)N=C(N)N)cc1)C(C)C
InChIInChI=1S/C15H24N6O/c1-9(2)21(10(3)4)13(22)11-5-7-12(8-6-11)19-15(18)20-14(16)17/h5-10H,1-4H3,(H6,16,17,18,19,20)
InChIKeyRGTADCIYZPNXMP-UHFFFAOYSA-N
XLogP1.17
TPSA123.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.17
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'}

Analyze 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide 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

methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
CID 168601889
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide
CID 168601688
4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
CID 57341782
4-[bis(trimethylsilyl)methyl]-N,N-di(propan-2-yl)benzamide
CID 122210203
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
ethyl 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetate
CID 168605980
4-[(1-amino-2-methylpropylidene)amino]benzamide
CID 63173897

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide (CID 24834253) is 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(/N=C(\N)N=C(N)N)cc1)C(C)C.
What is the InChIKey of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide?
The InChIKey is RGTADCIYZPNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-9(2)21(10(3)4)13(22)11-5-7-12(8-6-11)19-15(18)20-14(16)17/h5-10H,1-4H3,(H6,16,17,18,19,20).
What are the key properties of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide?
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide has a molecular weight of 304.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 24834253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).