1-(4-butylphenyl)-2-cyclopropylguanidine

C14H21N3 — CID 62378914

IUPAC1-(4-butylphenyl)-2-cyclopropylguanidine
SMILESCCCCc1ccc(N/C(N)=N/C2CC2)cc1
InChIInChI=1S/C14H21N3/c1-2-3-4-11-5-7-12(8-6-11)16-14(15)17-13-9-10-13/h5-8,13H,2-4,9-10H2,1H3,(H3,15,16,17)
InChIKeyOIGANCCSOBXJEW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-butylphenyl)-2-cyclopropylguanidine

1-(4-butylphenyl)-2-cyclopropylguanidine (PubChem CID 62378914) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-cyclopropylguanidine
PubChem CID62378914
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(4-butylphenyl)-2-cyclopropylguanidine
SMILESCCCCc1ccc(N/C(N)=N/C2CC2)cc1
InChIInChI=1S/C14H21N3/c1-2-3-4-11-5-7-12(8-6-11)16-14(15)17-13-9-10-13/h5-8,13H,2-4,9-10H2,1H3,(H3,15,16,17)
InChIKeyOIGANCCSOBXJEW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
CID 120973982
1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
CID 55064114
1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531109
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(4-butylphenyl)-2-cyclopropylguanidine (CID 62378914) is 1-(4-butylphenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(4-butylphenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(4-butylphenyl)-2-cyclopropylguanidine is CCCCc1ccc(N/C(N)=N/C2CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-cyclopropylguanidine?
The InChIKey is OIGANCCSOBXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-4-11-5-7-12(8-6-11)16-14(15)17-13-9-10-13/h5-8,13H,2-4,9-10H2,1H3,(H3,15,16,17).
What are the key properties of 1-(4-butylphenyl)-2-cyclopropylguanidine?
1-(4-butylphenyl)-2-cyclopropylguanidine has a molecular weight of 231.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 62378914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).