1-[10-(diaminomethylideneamino)decyl]guanidine

C12H28N6 — CID 176517503

IUPAC1-[10-(diaminomethylideneamino)decyl]guanidine
SMILES[H]/N=C(\N)NCCCCCCCCCCN=C(N)N
InChIInChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)
InChIKeyOZZMUVKANAPKGI-UHFFFAOYSA-N
MW256.40 g/mol
LogP0.86
Rot. Bonds11

About 1-[10-(diaminomethylideneamino)decyl]guanidine

1-[10-(diaminomethylideneamino)decyl]guanidine (PubChem CID 176517503) has the molecular formula C12H28N6 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-[10-(diaminomethylideneamino)decyl]guanidine.

Molecular Properties

Compound Name1-[10-(diaminomethylideneamino)decyl]guanidine
PubChem CID176517503
Molecular FormulaC12H28N6
Molecular Weight256.40 g/mol
Exact Mass256.24
IUPAC Name1-[10-(diaminomethylideneamino)decyl]guanidine
SMILES[H]/N=C(\N)NCCCCCCCCCCN=C(N)N
InChIInChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)
InChIKeyOZZMUVKANAPKGI-UHFFFAOYSA-N
XLogP0.86
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 50.86
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-[10-(diaminomethylideneamino)decyl]guanidine?
The IUPAC name of 1-[10-(diaminomethylideneamino)decyl]guanidine (CID 176517503) is 1-[10-(diaminomethylideneamino)decyl]guanidine.
What is the SMILES notation for 1-[10-(diaminomethylideneamino)decyl]guanidine?
The canonical SMILES for 1-[10-(diaminomethylideneamino)decyl]guanidine is [H]/N=C(\N)NCCCCCCCCCCN=C(N)N.
What is the InChIKey of 1-[10-(diaminomethylideneamino)decyl]guanidine?
The InChIKey is OZZMUVKANAPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18).
What are the key properties of 1-[10-(diaminomethylideneamino)decyl]guanidine?
1-[10-(diaminomethylideneamino)decyl]guanidine has a molecular weight of 256.40 g/mol, XLogP of 0.86, 11 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(diaminomethylideneamino)decyl]guanidine is sourced from PubChem (CID 176517503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).