1,2-dibutylguanidine;nitric acid

C9H22N4O3 — CID 161280098

IUPAC1,2-dibutylguanidine;nitric acid
SMILESCCCC/N=C(\N)NCCCC.O=[N+]([O-])O
InChIInChI=1S/C9H21N3.HNO3/c1-3-5-7-11-9(10)12-8-6-4-2;2-1(3)4/h3-8H2,1-2H3,(H3,10,11,12);(H,2,3,4)
InChIKeyVEYUMLCDSNGVTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.14
Rot. Bonds6

About 1,2-dibutylguanidine;nitric acid

1,2-dibutylguanidine;nitric acid (PubChem CID 161280098) has the molecular formula C9H22N4O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2-dibutylguanidine;nitric acid.

Molecular Properties

Compound Name1,2-dibutylguanidine;nitric acid
PubChem CID161280098
Molecular FormulaC9H22N4O3
Molecular Weight234.30 g/mol
Exact Mass234.17
IUPAC Name1,2-dibutylguanidine;nitric acid
SMILESCCCC/N=C(\N)NCCCC.O=[N+]([O-])O
InChIInChI=1S/C9H21N3.HNO3/c1-3-5-7-11-9(10)12-8-6-4-2;2-1(3)4/h3-8H2,1-2H3,(H3,10,11,12);(H,2,3,4)
InChIKeyVEYUMLCDSNGVTR-UHFFFAOYSA-N
XLogP1.14
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-dibutylguanidine;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dibutylguanidine;phosphoric acid
CID 166600390
1-butyl-2-nitroguanidine
CID 135996675
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
1-butyl-2-(5,5-dimethylhexyl)guanidine
CID 111101409
1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111093458
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
tert-butyl N-[3-[[amino(butylamino)methylidene]amino]propyl]carbamate
CID 111044672
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
2-butyl-1-[2-(diethylamino)ethyl]guanidine
CID 111022666
2-butyl-1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]guanidine
CID 111036588

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutylguanidine;nitric acid?
The IUPAC name of 1,2-dibutylguanidine;nitric acid (CID 161280098) is 1,2-dibutylguanidine;nitric acid.
What is the SMILES notation for 1,2-dibutylguanidine;nitric acid?
The canonical SMILES for 1,2-dibutylguanidine;nitric acid is CCCC/N=C(\N)NCCCC.O=[N+]([O-])O.
What is the InChIKey of 1,2-dibutylguanidine;nitric acid?
The InChIKey is VEYUMLCDSNGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.HNO3/c1-3-5-7-11-9(10)12-8-6-4-2;2-1(3)4/h3-8H2,1-2H3,(H3,10,11,12);(H,2,3,4).
What are the key properties of 1,2-dibutylguanidine;nitric acid?
1,2-dibutylguanidine;nitric acid has a molecular weight of 234.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutylguanidine;nitric acid is sourced from PubChem (CID 161280098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).