4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide

C11H16N6O2 — CID 168601688

IUPAC4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide
SMILESNC(N)=N/C(N)=N/c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C11H16N6O2/c12-10(13)17-11(14)16-8-3-1-7(2-4-8)9(19)15-5-6-18/h1-4,18H,5-6H2,(H,15,19)(H6,12,13,14,16,17)
InChIKeyXLHSJTJFJVQVAV-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.37
Rot. Bonds4

About 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide

4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 168601688) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide
PubChem CID168601688
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide
SMILESNC(N)=N/C(N)=N/c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C11H16N6O2/c12-10(13)17-11(14)16-8-3-1-7(2-4-8)9(19)15-5-6-18/h1-4,18H,5-6H2,(H,15,19)(H6,12,13,14,16,17)
InChIKeyXLHSJTJFJVQVAV-UHFFFAOYSA-N
XLogP-1.37
TPSA152.11 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
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

methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide
CID 168602932
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N,N-di(propan-2-yl)benzamide
CID 24834253
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
CID 168605433
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide (CID 168601688) is 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide is NC(N)=N/C(N)=N/c1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is XLHSJTJFJVQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c12-10(13)17-11(14)16-8-3-1-7(2-4-8)9(19)15-5-6-18/h1-4,18H,5-6H2,(H,15,19)(H6,12,13,14,16,17).
What are the key properties of 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide?
4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 264.29 g/mol, XLogP of -1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 168601688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).