1-amino-2-butyl-3-(3-phenylbutyl)guanidine

C15H26N4 — CID 116515165

IUPAC1-amino-2-butyl-3-(3-phenylbutyl)guanidine
SMILESCCCC/N=C(\NN)NCCC(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-3-4-11-17-15(19-16)18-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyMBADVQGLLXBUPX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds7

About 1-amino-2-butyl-3-(3-phenylbutyl)guanidine

1-amino-2-butyl-3-(3-phenylbutyl)guanidine (PubChem CID 116515165) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(3-phenylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(3-phenylbutyl)guanidine
PubChem CID116515165
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-amino-2-butyl-3-(3-phenylbutyl)guanidine
SMILESCCCC/N=C(\NN)NCCC(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-3-4-11-17-15(19-16)18-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyMBADVQGLLXBUPX-UHFFFAOYSA-N
XLogP2.39
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-3-(3-phenylbutyl)guanidine
CID 116510927
1-amino-2,3-dibutylguanidine
CID 116511844
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
CID 110971895
1-amino-2-butyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262764
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111146700
1-(benzenesulfonyl)-2,3-dibutylguanidine
CID 2317105
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
CID 111665374

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(3-phenylbutyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(3-phenylbutyl)guanidine (CID 116515165) is 1-amino-2-butyl-3-(3-phenylbutyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(3-phenylbutyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(3-phenylbutyl)guanidine is CCCC/N=C(\NN)NCCC(C)c1ccccc1.
What is the InChIKey of 1-amino-2-butyl-3-(3-phenylbutyl)guanidine?
The InChIKey is MBADVQGLLXBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-11-17-15(19-16)18-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-butyl-3-(3-phenylbutyl)guanidine?
1-amino-2-butyl-3-(3-phenylbutyl)guanidine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(3-phenylbutyl)guanidine is sourced from PubChem (CID 116515165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).