1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine

C14H21N3 — CID 111970168

IUPAC1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
SMILESCC(C)C1(C/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3/c1-11(2)14(8-9-14)10-16-13(15)17-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,15,16,17)
InChIKeyGAUCBEPCPQBAIE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds4

About 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine

1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine (PubChem CID 111970168) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
PubChem CID111970168
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
SMILESCC(C)C1(C/N=C(\N)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3/c1-11(2)14(8-9-14)10-16-13(15)17-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,15,16,17)
InChIKeyGAUCBEPCPQBAIE-UHFFFAOYSA-N
XLogP2.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
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'}

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Related Compounds

1-(3,5-dimethylphenyl)-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970363
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
CID 111824737
2-[(4-methyloxan-4-yl)methyl]-1-phenylguanidine
CID 113252878
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-phenylguanidine;hydroiodide
CID 110033010
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
2-[3-[di(propan-2-yl)amino]propyl]-1-phenylguanidine
CID 111542714
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine (CID 111970168) is 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine is CC(C)C1(C/N=C(\N)Nc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The InChIKey is GAUCBEPCPQBAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)14(8-9-14)10-16-13(15)17-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111970168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).