1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine

C7H17N7 — CID 176528848

IUPAC1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine
SMILES[H]/N=C(\N)NCCCNC1=NCCN1N
InChIInChI=1S/C7H17N7/c8-6(9)11-2-1-3-12-7-13-4-5-14(7)10/h1-5,10H2,(H,12,13)(H4,8,9,11)
InChIKeyFDNUAMSGRORQFV-UHFFFAOYSA-N
MW199.26 g/mol
LogP-2.01
Rot. Bonds4

About 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine

1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine (PubChem CID 176528848) has the molecular formula C7H17N7 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine
PubChem CID176528848
Molecular FormulaC7H17N7
Molecular Weight199.26 g/mol
Exact Mass199.15
IUPAC Name1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine
SMILES[H]/N=C(\N)NCCCNC1=NCCN1N
InChIInChI=1S/C7H17N7/c8-6(9)11-2-1-3-12-7-13-4-5-14(7)10/h1-5,10H2,(H,12,13)(H4,8,9,11)
InChIKeyFDNUAMSGRORQFV-UHFFFAOYSA-N
XLogP-2.01
TPSA115.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-(9-carbamimidamidononyl)guanidine
CID 176533990
2-N-(2-methoxyethyl)-4,5-dihydroimidazole-1,2-diamine;4-methylbenzenesulfonic acid
CID 19785366
N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 126979416
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
4,7-bis(3-carbamimidamidopropylamino)-2-N,9-N-bis(1-methylquinolin-1-ium-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
CID 136807979
N,1-dipentyl-4,5-dihydroimidazol-2-amine
CID 70596750
N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide
CID 176527557
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-carbamimidamidoethyl carbamimidothioate;dihydrobromide
CID 176518669
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
(2R)-2-(3-carbamimidamidopropyl)-3-imino-6-(2-methoxyethoxy)hexanoic acid
CID 176535762
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine?
The IUPAC name of 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine (CID 176528848) is 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine.
What is the SMILES notation for 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine?
The canonical SMILES for 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine is [H]/N=C(\N)NCCCNC1=NCCN1N.
What is the InChIKey of 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine?
The InChIKey is FDNUAMSGRORQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N7/c8-6(9)11-2-1-3-12-7-13-4-5-14(7)10/h1-5,10H2,(H,12,13)(H4,8,9,11).
What are the key properties of 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine?
1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine has a molecular weight of 199.26 g/mol, XLogP of -2.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine is sourced from PubChem (CID 176528848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).