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

C5H15N7 — CID 174891232

IUPAC1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCCN
InChIInChI=1S/C5H15N7/c6-2-1-3-12(10)5(9)11-4(7)8/h1-3,6,10H2,(H5,7,8,9,11)
InChIKeyZXORGVOAQZXTRC-UHFFFAOYSA-N
MW173.22 g/mol
LogP-2.28
Rot. Bonds3

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

1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine (PubChem CID 174891232) has the molecular formula C5H15N7 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
PubChem CID174891232
Molecular FormulaC5H15N7
Molecular Weight173.22 g/mol
Exact Mass173.14
IUPAC Name1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCCN
InChIInChI=1S/C5H15N7/c6-2-1-3-12(10)5(9)11-4(7)8/h1-3,6,10H2,(H5,7,8,9,11)
InChIKeyZXORGVOAQZXTRC-UHFFFAOYSA-N
XLogP-2.28
TPSA143.53 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

5,6-dihydro-4H-pyrimidine-1,2-diamine
CID 9812770
2-Imino-4,5-dihydropyrimidine-3,6-diamine
CID 53755915
2-Imino-4,5-dihydropyrimidine-3,4,6-triamine
CID 54455749
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
1-Iodo-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 141188276
1-Amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
CID 144561881
1,2,3-Triamino-1-(3-aminopropyl)guanidine
CID 155130453
1-Amino-2-carbamimidoyl-1-propylguanidine
CID 176519542
1,4,5,6-Tetrahydropyrimidin-3-ium-2-ylhydrazine
CID 7005032

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The IUPAC name of 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine (CID 174891232) is 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine.
What is the SMILES notation for 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The canonical SMILES for 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine is [H]/N=C(\N=C(N)N)N(N)CCCN.
What is the InChIKey of 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
The InChIKey is ZXORGVOAQZXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N7/c6-2-1-3-12(10)5(9)11-4(7)8/h1-3,6,10H2,(H5,7,8,9,11).
What are the key properties of 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine?
1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine has a molecular weight of 173.22 g/mol, XLogP of -2.28, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine is sourced from PubChem (CID 174891232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).