3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine

C11H17N5 — CID 115563267

IUPAC3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1cccc(C)c1
InChIInChI=1S/C11H17N5/c1-3-16(11(14)15-10(12)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15)
InChIKeyDPLKVOIVLHNESH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.03
Rot. Bonds2

About 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine

3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine (PubChem CID 115563267) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
PubChem CID115563267
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1cccc(C)c1
InChIInChI=1S/C11H17N5/c1-3-16(11(14)15-10(12)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15)
InChIKeyDPLKVOIVLHNESH-UHFFFAOYSA-N
XLogP1.03
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
CID 175345230
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
CID 23348813
3-(diaminomethylidene)-1-ethyl-1-(5-methyl-1,2-oxazol-3-yl)guanidine
CID 57358697
3-(diaminomethylidene)-1-[1-(N-[N-(diaminomethylidene)carbamimidoyl]-3,5-dimethylanilino)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 141007128
2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
CID 62361894
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 83036577
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine (CID 115563267) is 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine is [H]/N=C(\N=C(N)N)N(CC)c1cccc(C)c1.
What is the InChIKey of 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine?
The InChIKey is DPLKVOIVLHNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-16(11(14)15-10(12)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H5,12,13,14,15).
What are the key properties of 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine?
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine has a molecular weight of 219.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 115563267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).