1,2,3-triamino-1-propylguanidine

C4H14N6 — CID 155737101

IUPAC1,2,3-triamino-1-propylguanidine
SMILESCCCN(N)/C(=N/N)NN
InChIInChI=1S/C4H14N6/c1-2-3-10(7)4(8-5)9-6/h2-3,5-7H2,1H3,(H,8,9)
InChIKeyIEPYODPXWPITLU-UHFFFAOYSA-N
MW146.20 g/mol
LogP-1.73
Rot. Bonds2

About 1,2,3-triamino-1-propylguanidine

1,2,3-triamino-1-propylguanidine (PubChem CID 155737101) has the molecular formula C4H14N6 and a molecular weight of 146.20 g/mol. Its IUPAC name is 1,2,3-triamino-1-propylguanidine.

Molecular Properties

Compound Name1,2,3-triamino-1-propylguanidine
PubChem CID155737101
Molecular FormulaC4H14N6
Molecular Weight146.20 g/mol
Exact Mass146.13
IUPAC Name1,2,3-triamino-1-propylguanidine
SMILESCCCN(N)/C(=N/N)NN
InChIInChI=1S/C4H14N6/c1-2-3-10(7)4(8-5)9-6/h2-3,5-7H2,1H3,(H,8,9)
InChIKeyIEPYODPXWPITLU-UHFFFAOYSA-N
XLogP-1.73
TPSA105.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-1-propylguanidine
CID 19879838
1,2-Diamino-1-ethylguanidine
CID 19966848
2-propyl-2H-1,3,5-triazine-1,4,6-triamine
CID 21081841
1-Amino-1-[3-(dimethylamino)propyl]guanidine
CID 21620355
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Amino-1-butylguanidine
CID 88441626
1,2,3-Triamino-1-propylguanidine
CID 89362319
1,2,3-Triamino-1-butylguanidine
CID 89390339
1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine
CID 90078468
1-Amino-1-(2-methylpropyl)guanidine
CID 141113100

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triamino-1-propylguanidine?
The IUPAC name of 1,2,3-triamino-1-propylguanidine (CID 155737101) is 1,2,3-triamino-1-propylguanidine.
What is the SMILES notation for 1,2,3-triamino-1-propylguanidine?
The canonical SMILES for 1,2,3-triamino-1-propylguanidine is CCCN(N)/C(=N/N)NN.
What is the InChIKey of 1,2,3-triamino-1-propylguanidine?
The InChIKey is IEPYODPXWPITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N6/c1-2-3-10(7)4(8-5)9-6/h2-3,5-7H2,1H3,(H,8,9).
What are the key properties of 1,2,3-triamino-1-propylguanidine?
1,2,3-triamino-1-propylguanidine has a molecular weight of 146.20 g/mol, XLogP of -1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triamino-1-propylguanidine is sourced from PubChem (CID 155737101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).