1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine

C11H17N5 — CID 83036544

IUPAC1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C11H17N5/c1-7-3-5-9(6-4-7)8(2)15-11(14)16-10(12)13/h3-6,8H,1-2H3,(H6,12,13,14,15,16)
InChIKeyAVIZEQNJPGYGBR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.64
Rot. Bonds2

About 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine

1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine (PubChem CID 83036544) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
PubChem CID83036544
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C11H17N5/c1-7-3-5-9(6-4-7)8(2)15-11(14)16-10(12)13/h3-6,8H,1-2H3,(H6,12,13,14,15,16)
InChIKeyAVIZEQNJPGYGBR-UHFFFAOYSA-N
XLogP0.64
TPSA102.78 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 ≤ 50.64
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

1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
2-[1-(3-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 83036957
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 175013889
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
CID 168601889
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
1-[1-(4-methylphenyl)ethyl]-2-propylguanidine
CID 62362034
2-[2-methyl-3-[(4-methylphenyl)methylamino]propyl]guanidine
CID 66580490
2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine
CID 22639466
1-(diaminomethylidene)-2-[2-[(4-methylphenyl)methylsulfanyl]phenyl]guanidine
CID 168602053
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine (CID 83036544) is 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine is Cc1ccc(C(C)/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine?
The InChIKey is AVIZEQNJPGYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-3-5-9(6-4-7)8(2)15-11(14)16-10(12)13/h3-6,8H,1-2H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine?
1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine has a molecular weight of 219.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 83036544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).