1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium

C17H33N4+ — CID 159536560

IUPAC1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
SMILESCC(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C
InChIInChI=1S/C17H32N4/c1-14(21(2)3)18-17(19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3,(H,19,20)/p+1
InChIKeyZBQYPQWDOZLHND-UHFFFAOYSA-O
MW293.48 g/mol
LogP2.88
Rot. Bonds2

About 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium

1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium (PubChem CID 159536560) has the molecular formula C17H33N4+ and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium.

Molecular Properties

Compound Name1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
PubChem CID159536560
Molecular FormulaC17H33N4+
Molecular Weight293.48 g/mol
Exact Mass293.27
IUPAC Name1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
SMILESCC(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C
InChIInChI=1S/C17H32N4/c1-14(21(2)3)18-17(19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3,(H,19,20)/p+1
InChIKeyZBQYPQWDOZLHND-UHFFFAOYSA-O
XLogP2.88
TPSA39.43 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.88
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

carbonic acid;[[(N,N'-dicyclohexylcarbamimidoyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 121302580
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
CID 54169753
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1,2-dicyclohexyl-3-pyridin-1-ium-1-ylguanidine iodide
CID 154879292
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121729
1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
CID 176523791
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
CID 15804073

Frequently Asked Questions

What is the IUPAC name of 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium?
The IUPAC name of 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium (CID 159536560) is 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium.
What is the SMILES notation for 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium?
The canonical SMILES for 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium is CC(N/C(=N\C1CCCCC1)NC1CCCCC1)=[N+](C)C.
What is the InChIKey of 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium?
The InChIKey is ZBQYPQWDOZLHND-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H32N4/c1-14(21(2)3)18-17(19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3,(H,19,20)/p+1.
What are the key properties of 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium?
1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium has a molecular weight of 293.48 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium is sourced from PubChem (CID 159536560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).