1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine

C10H25N9 — CID 71589165

IUPAC1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine
SMILES[H]/N=C(\N)N(CCCCN=C(N)N)CCCN=C(N)N
InChIInChI=1S/C10H25N9/c11-8(12)17-4-1-2-6-19(10(15)16)7-3-5-18-9(13)14/h1-7H2,(H3,15,16)(H4,11,12,17)(H4,13,14,18)
InChIKeyDUNOTZUXNRKFPY-UHFFFAOYSA-N
MW271.37 g/mol
LogP-2.10
Rot. Bonds9

About 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine

1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine (PubChem CID 71589165) has the molecular formula C10H25N9 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine.

Molecular Properties

Compound Name1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine
PubChem CID71589165
Molecular FormulaC10H25N9
Molecular Weight271.37 g/mol
Exact Mass271.22
IUPAC Name1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine
SMILES[H]/N=C(\N)N(CCCCN=C(N)N)CCCN=C(N)N
InChIInChI=1S/C10H25N9/c11-8(12)17-4-1-2-6-19(10(15)16)7-3-5-18-9(13)14/h1-7H2,(H3,15,16)(H4,11,12,17)(H4,13,14,18)
InChIKeyDUNOTZUXNRKFPY-UHFFFAOYSA-N
XLogP-2.10
TPSA181.91 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.37
LogP ≤ 5-2.10
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-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine?
The IUPAC name of 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine (CID 71589165) is 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine.
What is the SMILES notation for 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine?
The canonical SMILES for 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine is [H]/N=C(\N)N(CCCCN=C(N)N)CCCN=C(N)N.
What is the InChIKey of 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine?
The InChIKey is DUNOTZUXNRKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N9/c11-8(12)17-4-1-2-6-19(10(15)16)7-3-5-18-9(13)14/h1-7H2,(H3,15,16)(H4,11,12,17)(H4,13,14,18).
What are the key properties of 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine?
1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine has a molecular weight of 271.37 g/mol, XLogP of -2.10, 9 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diaminomethylideneamino)butyl]-1-[3-(diaminomethylideneamino)propyl]guanidine is sourced from PubChem (CID 71589165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).