2-benzyl-1-(1-cyclopropylpropyl)guanidine

C14H21N3 — CID 130671344

IUPAC2-benzyl-1-(1-cyclopropylpropyl)guanidine
SMILESCCC(N/C(N)=N/Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21N3/c1-2-13(12-8-9-12)17-14(15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17)
InChIKeyYZKLIBDAIWTJGM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.28
Rot. Bonds5

About 2-benzyl-1-(1-cyclopropylpropyl)guanidine

2-benzyl-1-(1-cyclopropylpropyl)guanidine (PubChem CID 130671344) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-benzyl-1-(1-cyclopropylpropyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(1-cyclopropylpropyl)guanidine
PubChem CID130671344
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-benzyl-1-(1-cyclopropylpropyl)guanidine
SMILESCCC(N/C(N)=N/Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21N3/c1-2-13(12-8-9-12)17-14(15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17)
InChIKeyYZKLIBDAIWTJGM-UHFFFAOYSA-N
XLogP2.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-benzyl-1-(1-cyclopropylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-benzyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 130557169
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
N'-benzylpropanimidamide
CID 45122449
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
CID 130158185
2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
2-benzyl-1-propoxyguanidine
CID 130609795
2-benzyl-1-phenylguanidine
CID 12910062
2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
CID 130158509
N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
CID 130557165

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(1-cyclopropylpropyl)guanidine?
The IUPAC name of 2-benzyl-1-(1-cyclopropylpropyl)guanidine (CID 130671344) is 2-benzyl-1-(1-cyclopropylpropyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(1-cyclopropylpropyl)guanidine?
The canonical SMILES for 2-benzyl-1-(1-cyclopropylpropyl)guanidine is CCC(N/C(N)=N/Cc1ccccc1)C1CC1.
What is the InChIKey of 2-benzyl-1-(1-cyclopropylpropyl)guanidine?
The InChIKey is YZKLIBDAIWTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-13(12-8-9-12)17-14(15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17).
What are the key properties of 2-benzyl-1-(1-cyclopropylpropyl)guanidine?
2-benzyl-1-(1-cyclopropylpropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(1-cyclopropylpropyl)guanidine is sourced from PubChem (CID 130671344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).