1-amino-2-(3-aminopropyl)guanidine

C4H13N5 — CID 130567724

IUPAC1-amino-2-(3-aminopropyl)guanidine
SMILESNCCC/N=C(\N)NN
InChIInChI=1S/C4H13N5/c5-2-1-3-8-4(6)9-7/h1-3,5,7H2,(H3,6,8,9)
InChIKeyQBRIHZRKWFATPZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.89
Rot. Bonds3

About 1-amino-2-(3-aminopropyl)guanidine

1-amino-2-(3-aminopropyl)guanidine (PubChem CID 130567724) has the molecular formula C4H13N5 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-amino-2-(3-aminopropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-aminopropyl)guanidine
PubChem CID130567724
Molecular FormulaC4H13N5
Molecular Weight131.18 g/mol
Exact Mass131.12
IUPAC Name1-amino-2-(3-aminopropyl)guanidine
SMILESNCCC/N=C(\N)NN
InChIInChI=1S/C4H13N5/c5-2-1-3-8-4(6)9-7/h1-3,5,7H2,(H3,6,8,9)
InChIKeyQBRIHZRKWFATPZ-UHFFFAOYSA-N
XLogP-1.89
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(3-fluoropropyl)guanidine
CID 89020440
1-Amino-2-butylguanidine
CID 12228579
2-Ethyl-1-(methylamino)guanidine
CID 12523003
1-Amino-2-propylguanidine
CID 18960704
N-amino-N'-(4-aminobutyl)methanimidamide
CID 20542339
1-Amino-2-(2-aminoethyl)guanidine
CID 53664014
2-(4-Hydrazinylbutyl)guanidine
CID 87932239
2-(3-Hydrazinylpropyl)guanidine
CID 88901227
1-(Butylamino)-2-methylguanidine
CID 88908544
2-Methyl-1-(propylamino)guanidine
CID 89535448
1-Amino-2-(4-aminobutyl)guanidine
CID 90358956
1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine
CID 91450126

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-aminopropyl)guanidine?
The IUPAC name of 1-amino-2-(3-aminopropyl)guanidine (CID 130567724) is 1-amino-2-(3-aminopropyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-aminopropyl)guanidine?
The canonical SMILES for 1-amino-2-(3-aminopropyl)guanidine is NCCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(3-aminopropyl)guanidine?
The InChIKey is QBRIHZRKWFATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N5/c5-2-1-3-8-4(6)9-7/h1-3,5,7H2,(H3,6,8,9).
What are the key properties of 1-amino-2-(3-aminopropyl)guanidine?
1-amino-2-(3-aminopropyl)guanidine has a molecular weight of 131.18 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-aminopropyl)guanidine is sourced from PubChem (CID 130567724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).