1-amino-2-ethyl-3-(4-propylphenyl)guanidine

C12H20N4 — CID 116513167

IUPAC1-amino-2-ethyl-3-(4-propylphenyl)guanidine
SMILESCCCc1ccc(N/C(=N/CC)NN)cc1
InChIInChI=1S/C12H20N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h6-9H,3-5,13H2,1-2H3,(H2,14,15,16)
InChIKeyWYLWTKQIMYUWKB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.89
Rot. Bonds4

About 1-amino-2-ethyl-3-(4-propylphenyl)guanidine

1-amino-2-ethyl-3-(4-propylphenyl)guanidine (PubChem CID 116513167) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(4-propylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(4-propylphenyl)guanidine
PubChem CID116513167
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-amino-2-ethyl-3-(4-propylphenyl)guanidine
SMILESCCCc1ccc(N/C(=N/CC)NN)cc1
InChIInChI=1S/C12H20N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h6-9H,3-5,13H2,1-2H3,(H2,14,15,16)
InChIKeyWYLWTKQIMYUWKB-UHFFFAOYSA-N
XLogP1.89
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.89
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

Guanidine, N,N'-bis(methylphenyl)-
CID 41011
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122
N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
N,N''-Bis(4-ethylphenyl)guanidine
CID 14771671
6,6-Dimethyl-1-(p-tolyl)-1,3,5-triazine-2,4-diamine
CID 309795
3-Amino-1-(4-methylphenyl)thiourea
CID 737132
4-(4-Ethylphenyl)-3-thiosemicarbazide
CID 3259670
s-Triazine, 1,2-dihydro-1-(p-butylphenyl)-4,6-diamino-2,2-dimethyl-
CID 78387
4,4-dimethyl-2-N-(3-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
CID 777988
1-(Tert-butylamino)-3-(4-methylphenyl)thiourea
CID 2731984

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(4-propylphenyl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(4-propylphenyl)guanidine (CID 116513167) is 1-amino-2-ethyl-3-(4-propylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(4-propylphenyl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(4-propylphenyl)guanidine is CCCc1ccc(N/C(=N/CC)NN)cc1.
What is the InChIKey of 1-amino-2-ethyl-3-(4-propylphenyl)guanidine?
The InChIKey is WYLWTKQIMYUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h6-9H,3-5,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-ethyl-3-(4-propylphenyl)guanidine?
1-amino-2-ethyl-3-(4-propylphenyl)guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(4-propylphenyl)guanidine is sourced from PubChem (CID 116513167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).