[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium

C12H28N5+ — CID 140927163

IUPAC[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium
SMILESCCC/N=C(\NCCC)NC(N(C)C)=[N+](C)C
InChIInChI=1S/C12H27N5/c1-7-9-13-11(14-10-8-2)15-12(16(3)4)17(5)6/h7-10H2,1-6H3,(H,13,14)/p+1
InChIKeyIOQYCCCGJWFGAS-UHFFFAOYSA-O
MW242.39 g/mol
LogP0.53
Rot. Bonds4

About [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium

[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium (PubChem CID 140927163) has the molecular formula C12H28N5+ and a molecular weight of 242.39 g/mol. Its IUPAC name is [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium
PubChem CID140927163
Molecular FormulaC12H28N5+
Molecular Weight242.39 g/mol
Exact Mass242.23
IUPAC Name[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium
SMILESCCC/N=C(\NCCC)NC(N(C)C)=[N+](C)C
InChIInChI=1S/C12H27N5/c1-7-9-13-11(14-10-8-2)15-12(16(3)4)17(5)6/h7-10H2,1-6H3,(H,13,14)/p+1
InChIKeyIOQYCCCGJWFGAS-UHFFFAOYSA-O
XLogP0.53
TPSA42.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
N,N'-dipropylethanimidamide
CID 12021308
[[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
CID 23154813
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 131729405
1-amino-3-hexyl-2-propylguanidine
CID 104886641
2-(propylamino)-2-propyliminoacetic acid
CID 87187042
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
CID 111763409
CID 11019709
CID 11019709

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium (CID 140927163) is [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium is CCC/N=C(\NCCC)NC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium?
The InChIKey is IOQYCCCGJWFGAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27N5/c1-7-9-13-11(14-10-8-2)15-12(16(3)4)17(5)6/h7-10H2,1-6H3,(H,13,14)/p+1.
What are the key properties of [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium?
[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium has a molecular weight of 242.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium is sourced from PubChem (CID 140927163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).