1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine

C12H20N4 — CID 116512604

IUPAC1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N4/c1-4-7-14-12(16-13)15-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyHJACALONEFGYQR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds3

About 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine

1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine (PubChem CID 116512604) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
PubChem CID116512604
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N4/c1-4-7-14-12(16-13)15-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyHJACALONEFGYQR-UHFFFAOYSA-N
XLogP1.94
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
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-3-(3,4-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512602
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
CID 116512257
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
CID 116512039
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
CID 116515197
1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
CID 114258213
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951
1-amino-2-butyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 116511680
1-(3,4-dimethylphenyl)-2-(2-ethylbutyl)guanidine
CID 111800614
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine (CID 116512604) is 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1ccc(C)c(C)c1.
What is the InChIKey of 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine?
The InChIKey is HJACALONEFGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-7-14-12(16-13)15-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine?
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine is sourced from PubChem (CID 116512604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).