1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine

C15H20N4O4-2 — CID 163163694

IUPAC1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
SMILESCCC1=C(C=NNc2ccc(N([O-])[O-])cc2N(O)O)CCCC1
InChIInChI=1S/C15H20N4O4/c1-2-11-5-3-4-6-12(11)10-16-17-14-8-7-13(18(20)21)9-15(14)19(22)23/h7-10,17,22-23H,2-6H2,1H3/q-2
InChIKeyKUYYWCGJCDMUQX-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.75
Rot. Bonds6

About 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine

1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine (PubChem CID 163163694) has the molecular formula C15H20N4O4-2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
PubChem CID163163694
Molecular FormulaC15H20N4O4-2
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
SMILESCCC1=C(C=NNc2ccc(N([O-])[O-])cc2N(O)O)CCCC1
InChIInChI=1S/C15H20N4O4/c1-2-11-5-3-4-6-12(11)10-16-17-14-8-7-13(18(20)21)9-15(14)19(22)23/h7-10,17,22-23H,2-6H2,1H3/q-2
InChIKeyKUYYWCGJCDMUQX-UHFFFAOYSA-N
XLogP3.75
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine 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

2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163172164
2-N,2-N-dihydroxy-4-N,4-N-dioxido-1-N-[(2-prop-1-enylphenyl)methylideneamino]benzene-1,2,4-triamine
CID 163138273
1-N-[(5-bromonaphthalen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163149932
2-N,2-N-dihydroxy-1-N-[(E)-(8-methyl-2,3,6,7-tetrahydro-1H-azulen-5-ylidene)amino]-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 20831252
(4E)-4-[[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 20834114
N-[2-(dihydroxyamino)-4-(dioxidoamino)anilino]-N'-(2-oxopropyl)ethanimidamide
CID 21157423
4-chloro-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
CID 163164042
N-[[4-(diethylamino)phenyl]methylideneamino]-2,4-dinitroaniline
CID 3089334
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
CID 9059235
4-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3354356
N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679343

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The IUPAC name of 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine (CID 163163694) is 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine.
What is the SMILES notation for 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The canonical SMILES for 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine is CCC1=C(C=NNc2ccc(N([O-])[O-])cc2N(O)O)CCCC1.
What is the InChIKey of 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine?
The InChIKey is KUYYWCGJCDMUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-2-11-5-3-4-6-12(11)10-16-17-14-8-7-13(18(20)21)9-15(14)19(22)23/h7-10,17,22-23H,2-6H2,1H3/q-2.
What are the key properties of 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine?
1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine has a molecular weight of 320.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethylcyclohexen-1-yl)methylideneamino]-2-N,2-N-dihydroxy-4-N,4-N-dioxidobenzene-1,2,4-triamine is sourced from PubChem (CID 163163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).