3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide

C9H15N5O — CID 138645696

IUPAC3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide
SMILESCOc1c(N)cccc1/C(N)=N/N(C)N
InChIInChI=1S/C9H15N5O/c1-14(12)13-9(11)6-4-3-5-7(10)8(6)15-2/h3-5H,10,12H2,1-2H3,(H2,11,13)
InChIKeyXYNZATCGMXCGBG-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.30
Rot. Bonds3

About 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide

3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide (PubChem CID 138645696) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide
PubChem CID138645696
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide
SMILESCOc1c(N)cccc1/C(N)=N/N(C)N
InChIInChI=1S/C9H15N5O/c1-14(12)13-9(11)6-4-3-5-7(10)8(6)15-2/h3-5H,10,12H2,1-2H3,(H2,11,13)
InChIKeyXYNZATCGMXCGBG-UHFFFAOYSA-N
XLogP-0.30
TPSA102.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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'}

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Related Compounds

3-amino-2-methoxybenzoic acid
CID 19849158
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
N'-[amino(methyl)amino]-5-bromo-3-fluoro-2-methoxybenzenecarboximidamide
CID 172631500
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
(3-amino-2-methoxyphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211013
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline
CID 166130526
2-methylsulfonylethyl 3-amino-2-methoxybenzoate
CID 113386647
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide?
The IUPAC name of 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide (CID 138645696) is 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide is COc1c(N)cccc1/C(N)=N/N(C)N.
What is the InChIKey of 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide?
The InChIKey is XYNZATCGMXCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14(12)13-9(11)6-4-3-5-7(10)8(6)15-2/h3-5H,10,12H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide?
3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide has a molecular weight of 209.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[amino(methyl)amino]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 138645696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).