carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C19H38N5O3+ — CID 121302580

IUPACcarbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C.O=C(O)O
InChIInChI=1S/C18H35N5.CH2O3/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16;2-1(3)4/h15-16H,5-14H2,1-4H3,(H,19,20);(H2,2,3,4)/p+1
InChIKeyJIHMTGDINIQDRD-UHFFFAOYSA-O
MW384.55 g/mol
LogP2.60
Rot. Bonds2

About carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium

carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 121302580) has the molecular formula C19H38N5O3+ and a molecular weight of 384.55 g/mol. Its IUPAC name is carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Namecarbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID121302580
Molecular FormulaC19H38N5O3+
Molecular Weight384.55 g/mol
Exact Mass384.30
IUPAC Namecarbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C.O=C(O)O
InChIInChI=1S/C18H35N5.CH2O3/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16;2-1(3)4/h15-16H,5-14H2,1-4H3,(H,19,20);(H2,2,3,4)/p+1
InChIKeyJIHMTGDINIQDRD-UHFFFAOYSA-O
XLogP2.60
TPSA100.20 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium 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-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
CID 159536560
carbonic acid;bis(2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine)
CID 157450332
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
cyclohexylcarbamic acid;hydrate
CID 172719994
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
1,2-dicyclohexyl-3-pyridin-1-ium-1-ylguanidine iodide
CID 154879292
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
4-[(N,N'-dicyclohexylcarbamimidoyl)amino]benzoate
CID 163926985
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747

Frequently Asked Questions

What is the IUPAC name of carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 121302580) is carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C.O=C(O)O.
What is the InChIKey of carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is JIHMTGDINIQDRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H35N5.CH2O3/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16;2-1(3)4/h15-16H,5-14H2,1-4H3,(H,19,20);(H2,2,3,4)/p+1.
What are the key properties of carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 384.55 g/mol, XLogP of 2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 121302580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).