1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine

C13H22N4 — CID 116515035

IUPAC1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)Cc1ccccc1
InChIInChI=1S/C13H22N4/c1-3-9-15-13(17-14)16-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyPRZBCBFIFWYVFO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds5

About 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine

1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine (PubChem CID 116515035) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
PubChem CID116515035
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)Cc1ccccc1
InChIInChI=1S/C13H22N4/c1-3-9-15-13(17-14)16-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyPRZBCBFIFWYVFO-UHFFFAOYSA-N
XLogP1.44
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
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-[1-(4-fluorophenyl)propan-2-yl]-2-propylguanidine
CID 116515009
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1-amino-3-[1-(2-chlorophenyl)ethyl]-2-propylguanidine
CID 116514362
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-(3-ethoxypropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 116514487
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-(2-methoxyethyl)guanidine
CID 116515016
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine (CID 116515035) is 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine is CCC/N=C(\NN)NC(C)Cc1ccccc1.
What is the InChIKey of 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine?
The InChIKey is PRZBCBFIFWYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-9-15-13(17-14)16-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine?
1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-phenylpropan-2-yl)-2-propylguanidine is sourced from PubChem (CID 116515035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).