1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine

C12H19N5O2 — CID 168604205

IUPAC1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine
SMILESCOCC(C)Oc1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C12H19N5O2/c1-8(7-18-2)19-10-6-4-3-5-9(10)16-12(15)17-11(13)14/h3-6,8H,7H2,1-2H3,(H6,13,14,15,16,17)
InChIKeyGWMRWJLNXNRTDH-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.32
Rot. Bonds5

About 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine (PubChem CID 168604205) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine
PubChem CID168604205
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine
SMILESCOCC(C)Oc1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C12H19N5O2/c1-8(7-18-2)19-10-6-4-3-5-9(10)16-12(15)17-11(13)14/h3-6,8H,7H2,1-2H3,(H6,13,14,15,16,17)
InChIKeyGWMRWJLNXNRTDH-UHFFFAOYSA-N
XLogP0.32
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
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

1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
CID 168602475
methyl N-cyano-N'-[2-(1-methoxypropan-2-yloxy)phenyl]carbamimidothioate
CID 169362991
1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
CID 168602521
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
CID 168602724
1-N',4-N'-bis[N'-(2-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134147776
N-[4-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77020738
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-3-methylbutanamide
CID 168602615
1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
CID 146317046
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067632

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine (CID 168604205) is 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine is COCC(C)Oc1ccccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine?
The InChIKey is GWMRWJLNXNRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(7-18-2)19-10-6-4-3-5-9(10)16-12(15)17-11(13)14/h3-6,8H,7H2,1-2H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine has a molecular weight of 265.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine is sourced from PubChem (CID 168604205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).