2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine

C16H25N3 — CID 111152146

IUPAC2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCCCC/N=C(\NCC)NC1CC1c1ccccc1
InChIInChI=1S/C16H25N3/c1-3-5-11-18-16(17-4-2)19-15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyPZSMBLNBAFGKKC-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.90
Rot. Bonds6

About 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine

2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111152146) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID111152146
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
SMILESCCCC/N=C(\NCC)NC1CC1c1ccccc1
InChIInChI=1S/C16H25N3/c1-3-5-11-18-16(17-4-2)19-15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyPZSMBLNBAFGKKC-UHFFFAOYSA-N
XLogP2.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111280341
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 109408416
1-[2-(4-bromophenyl)cyclopropyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110975421
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111380773
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111954848
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111262495
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111251167
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine (CID 111152146) is 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine is CCCC/N=C(\NCC)NC1CC1c1ccccc1.
What is the InChIKey of 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is PZSMBLNBAFGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-5-11-18-16(17-4-2)19-15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine?
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111152146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).