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

C10H16N4 — CID 64866886

IUPAC1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)/N=C(\N)NN)cc1
InChIInChI=1S/C10H16N4/c1-7-3-5-9(6-4-7)8(2)13-10(11)14-12/h3-6,8H,12H2,1-2H3,(H3,11,13,14)
InChIKeyDDBIJBUVELJDEB-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.83
Rot. Bonds2

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

1-amino-2-[1-(4-methylphenyl)ethyl]guanidine (PubChem CID 64866886) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
PubChem CID64866886
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)/N=C(\N)NN)cc1
InChIInChI=1S/C10H16N4/c1-7-3-5-9(6-4-7)8(2)13-10(11)14-12/h3-6,8H,12H2,1-2H3,(H3,11,13,14)
InChIKeyDDBIJBUVELJDEB-UHFFFAOYSA-N
XLogP0.83
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
CID 83036544
1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
CID 62483522
1-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 64869015
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
CID 62362254
1-[1-(4-methylphenyl)ethyl]-2-propylguanidine
CID 62362034
1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
CID 62362636
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine
CID 62482309
1-amino-2-[(4-methylphenyl)methyl]guanidine;nitric acid
CID 23618037

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine (CID 64866886) is 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine is Cc1ccc(C(C)/N=C(\N)NN)cc1.
What is the InChIKey of 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine?
The InChIKey is DDBIJBUVELJDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-3-5-9(6-4-7)8(2)13-10(11)14-12/h3-6,8H,12H2,1-2H3,(H3,11,13,14).
What are the key properties of 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine?
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine has a molecular weight of 192.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[1-(4-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 64866886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).