2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine

C16H21N5 — CID 51131507

IUPAC2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NCCCNc1ccccn1
InChIInChI=1S/C16H21N5/c17-16(21-13-14-7-2-1-3-8-14)20-12-6-11-19-15-9-4-5-10-18-15/h1-5,7-10H,6,11-13H2,(H,18,19)(H3,17,20,21)
InChIKeyFIEUMVBONZPYNJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.99
Rot. Bonds7

About 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine

2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine (PubChem CID 51131507) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine
PubChem CID51131507
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NCCCNc1ccccn1
InChIInChI=1S/C16H21N5/c17-16(21-13-14-7-2-1-3-8-14)20-12-6-11-19-15-9-4-5-10-18-15/h1-5,7-10H,6,11-13H2,(H,18,19)(H3,17,20,21)
InChIKeyFIEUMVBONZPYNJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111097152
2-octyl-1-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111097167
2-benzyl-1-(4-hydroxypentyl)guanidine
CID 130174661
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-ethyl-2-[(3-methylphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111899717
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111183852
methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate;hydroiodide
CID 15616781
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854549

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine?
The IUPAC name of 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine (CID 51131507) is 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine?
The canonical SMILES for 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine is N/C(=N\Cc1ccccc1)NCCCNc1ccccn1.
What is the InChIKey of 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine?
The InChIKey is FIEUMVBONZPYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-16(21-13-14-7-2-1-3-8-14)20-12-6-11-19-15-9-4-5-10-18-15/h1-5,7-10H,6,11-13H2,(H,18,19)(H3,17,20,21).
What are the key properties of 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine?
2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine has a molecular weight of 283.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine is sourced from PubChem (CID 51131507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).