1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine

C12H20N4 — CID 116512281

IUPAC1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CCc1ccccc1)NN
InChIInChI=1S/C12H20N4/c1-10(2)15-12(16-13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyOHNMVAOHGSZFEU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds4

About 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine

1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine (PubChem CID 116512281) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
PubChem CID116512281
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\CCc1ccccc1)NN
InChIInChI=1S/C12H20N4/c1-10(2)15-12(16-13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyOHNMVAOHGSZFEU-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
CID 116512072
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
CID 116515035
1-amino-2-(3-ethoxypropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 116514487
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
3-phenyl-N,N'-di(propan-2-yl)propanimidamide
CID 102264756
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
2-[2-(2-chlorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127093
1-amino-2-(4-methylsulfanylbutyl)-3-propan-2-ylguanidine
CID 104888519
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine (CID 116512281) is 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine is CC(C)N/C(=N\CCc1ccccc1)NN.
What is the InChIKey of 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine?
The InChIKey is OHNMVAOHGSZFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)15-12(16-13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine?
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 116512281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).