2-(4-amino-1-phenylbutyl)guanidine

C11H18N4 — CID 121451039

IUPAC2-(4-amino-1-phenylbutyl)guanidine
SMILESNCCCC(N=C(N)N)c1ccccc1
InChIInChI=1S/C11H18N4/c12-8-4-7-10(15-11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H4,13,14,15)
InChIKeyXWRRAEGQQLAWEA-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-amino-1-phenylbutyl)guanidine

2-(4-amino-1-phenylbutyl)guanidine (PubChem CID 121451039) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-amino-1-phenylbutyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-1-phenylbutyl)guanidine
PubChem CID121451039
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(4-amino-1-phenylbutyl)guanidine
SMILESNCCCC(N=C(N)N)c1ccccc1
InChIInChI=1S/C11H18N4/c12-8-4-7-10(15-11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H4,13,14,15)
InChIKeyXWRRAEGQQLAWEA-UHFFFAOYSA-N
XLogP0.74
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-phenylpentane-1,5-diamine
CID 22770284
2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 59851564
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
(2S)-5-amino-2-(1-phenylethylamino)pentanamide
CID 141009409
1-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
6-amino-3-phenylhexanenitrile
CID 82404876
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-phenylpropanoic acid;2,5-diaminopentanoic acid
CID 174368733
2-[1-(3-chloro-4-fluorophenyl)-6-(diaminomethylideneamino)hexyl]guanidine
CID 163782596
12-benzhydryl-13,13-diphenyltridecan-1-amine
CID 139723736
18-benzhydryl-19,19-diphenylnonadecan-1-amine
CID 139723589

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-phenylbutyl)guanidine?
The IUPAC name of 2-(4-amino-1-phenylbutyl)guanidine (CID 121451039) is 2-(4-amino-1-phenylbutyl)guanidine.
What is the SMILES notation for 2-(4-amino-1-phenylbutyl)guanidine?
The canonical SMILES for 2-(4-amino-1-phenylbutyl)guanidine is NCCCC(N=C(N)N)c1ccccc1.
What is the InChIKey of 2-(4-amino-1-phenylbutyl)guanidine?
The InChIKey is XWRRAEGQQLAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-8-4-7-10(15-11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H4,13,14,15).
What are the key properties of 2-(4-amino-1-phenylbutyl)guanidine?
2-(4-amino-1-phenylbutyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-phenylbutyl)guanidine is sourced from PubChem (CID 121451039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).