2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine

C12H28N10 — CID 176524022

IUPAC2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C12H28N10/c13-9(14)21-11(17)19-7-5-3-1-2-4-6-8-20-12(18)22-10(15)16/h1-8H2,(H6,13,14,17,19,21)(H6,15,16,18,20,22)
InChIKeyNVCXIHMOEIDCKV-UHFFFAOYSA-N
MW312.43 g/mol
LogP-1.08
Rot. Bonds9

About 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine

2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine (PubChem CID 176524022) has the molecular formula C12H28N10 and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine.

Molecular Properties

Compound Name2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
PubChem CID176524022
Molecular FormulaC12H28N10
Molecular Weight312.43 g/mol
Exact Mass312.25
IUPAC Name2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C12H28N10/c13-9(14)21-11(17)19-7-5-3-1-2-4-6-8-20-12(18)22-10(15)16/h1-8H2,(H6,13,14,17,19,21)(H6,15,16,18,20,22)
InChIKeyNVCXIHMOEIDCKV-UHFFFAOYSA-N
XLogP-1.08
TPSA200.56 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 5-1.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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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Related Compounds

1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine?
The IUPAC name of 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine (CID 176524022) is 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine.
What is the SMILES notation for 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine?
The canonical SMILES for 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine is [H]/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine?
The InChIKey is NVCXIHMOEIDCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N10/c13-9(14)21-11(17)19-7-5-3-1-2-4-6-8-20-12(18)22-10(15)16/h1-8H2,(H6,13,14,17,19,21)(H6,15,16,18,20,22).
What are the key properties of 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine?
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine has a molecular weight of 312.43 g/mol, XLogP of -1.08, 9 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine is sourced from PubChem (CID 176524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).