1-[4-(diaminomethylideneamino)butyl]guanidine

C6H16N6 — CID 176519214

IUPAC1-[4-(diaminomethylideneamino)butyl]guanidine
SMILES[H]/N=C(\N)NCCCCN=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-N
MW172.24 g/mol
LogP-1.48
Rot. Bonds5

About 1-[4-(diaminomethylideneamino)butyl]guanidine

1-[4-(diaminomethylideneamino)butyl]guanidine (PubChem CID 176519214) has the molecular formula C6H16N6 and a molecular weight of 172.24 g/mol. Its IUPAC name is 1-[4-(diaminomethylideneamino)butyl]guanidine.

Molecular Properties

Compound Name1-[4-(diaminomethylideneamino)butyl]guanidine
PubChem CID176519214
Molecular FormulaC6H16N6
Molecular Weight172.24 g/mol
Exact Mass172.14
IUPAC Name1-[4-(diaminomethylideneamino)butyl]guanidine
SMILES[H]/N=C(\N)NCCCCN=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-N
XLogP-1.48
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

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-[4-(diaminomethylideneamino)butyl]guanidine?
The IUPAC name of 1-[4-(diaminomethylideneamino)butyl]guanidine (CID 176519214) is 1-[4-(diaminomethylideneamino)butyl]guanidine.
What is the SMILES notation for 1-[4-(diaminomethylideneamino)butyl]guanidine?
The canonical SMILES for 1-[4-(diaminomethylideneamino)butyl]guanidine is [H]/N=C(\N)NCCCCN=C(N)N.
What is the InChIKey of 1-[4-(diaminomethylideneamino)butyl]guanidine?
The InChIKey is HGMDNMBBCKDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12).
What are the key properties of 1-[4-(diaminomethylideneamino)butyl]guanidine?
1-[4-(diaminomethylideneamino)butyl]guanidine has a molecular weight of 172.24 g/mol, XLogP of -1.48, 5 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diaminomethylideneamino)butyl]guanidine is sourced from PubChem (CID 176519214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).