2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine

C14H22N4 — CID 110935375

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1
InChIInChI=1S/C14H22N4/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17)
InChIKeyXAMLNBZUHPTPRV-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine (PubChem CID 110935375) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
PubChem CID110935375
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1
InChIInChI=1S/C14H22N4/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17)
InChIKeyXAMLNBZUHPTPRV-UHFFFAOYSA-N
XLogP1.90
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
CID 110935374
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
2-[3-[benzyl(methyl)amino]butyl]-1-phenylguanidine;hydroiodide
CID 111549332

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine (CID 110935375) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine is CC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine?
The InChIKey is XAMLNBZUHPTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine has a molecular weight of 246.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine is sourced from PubChem (CID 110935375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).