1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine

C6H17N7 — CID 176529839

IUPAC1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine
SMILES[H]/N=C(\N)NCCNCCN=C(N)N
InChIInChI=1S/C6H17N7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13)
InChIKeyPDNVDHJCDRAOFQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP-2.67
Rot. Bonds6

About 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine

1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine (PubChem CID 176529839) has the molecular formula C6H17N7 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine.

Molecular Properties

Compound Name1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine
PubChem CID176529839
Molecular FormulaC6H17N7
Molecular Weight187.25 g/mol
Exact Mass187.15
IUPAC Name1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine
SMILES[H]/N=C(\N)NCCNCCN=C(N)N
InChIInChI=1S/C6H17N7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13)
InChIKeyPDNVDHJCDRAOFQ-UHFFFAOYSA-N
XLogP-2.67
TPSA138.33 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500187.25
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine?
The IUPAC name of 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine (CID 176529839) is 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine.
What is the SMILES notation for 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine?
The canonical SMILES for 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine is [H]/N=C(\N)NCCNCCN=C(N)N.
What is the InChIKey of 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine?
The InChIKey is PDNVDHJCDRAOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13).
What are the key properties of 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine?
1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine has a molecular weight of 187.25 g/mol, XLogP of -2.67, 6 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine is sourced from PubChem (CID 176529839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).