1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine

C13H20N4 — CID 116511457

IUPAC1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
SMILESCCc1cccc(C)c1N/C(=N/C1CC1)NN
InChIInChI=1S/C13H20N4/c1-3-10-6-4-5-9(2)12(10)16-13(17-14)15-11-7-8-11/h4-6,11H,3,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyNOHTZAWDKAIRSM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds3

About 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine

1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine (PubChem CID 116511457) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
PubChem CID116511457
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
SMILESCCc1cccc(C)c1N/C(=N/C1CC1)NN
InChIInChI=1S/C13H20N4/c1-3-10-6-4-5-9(2)12(10)16-13(17-14)15-11-7-8-11/h4-6,11H,3,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyNOHTZAWDKAIRSM-UHFFFAOYSA-N
XLogP1.95
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
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-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
CID 116515719
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 116511453
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine (CID 116511457) is 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine is CCc1cccc(C)c1N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine?
The InChIKey is NOHTZAWDKAIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-10-6-4-5-9(2)12(10)16-13(17-14)15-11-7-8-11/h4-6,11H,3,7-8,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine?
1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine is sourced from PubChem (CID 116511457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).