methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate

C23H45N5O2 — CID 135279819

IUPACmethyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate
SMILESCCN/C(=N/CCCN(C)CC1CCCC(N/C(=N/C2CCCCC2)OC)C1)OC
InChIInChI=1S/C23H45N5O2/c1-5-24-22(29-3)25-15-10-16-28(2)18-19-11-9-14-21(17-19)27-23(30-4)26-20-12-7-6-8-13-20/h19-21H,5-18H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyVOTNCRCBIXUKHN-UHFFFAOYSA-N
MW423.65 g/mol
LogP3.40
Rot. Bonds9

About methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate

methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate (PubChem CID 135279819) has the molecular formula C23H45N5O2 and a molecular weight of 423.65 g/mol. Its IUPAC name is methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate.

Molecular Properties

Compound Namemethyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate
PubChem CID135279819
Molecular FormulaC23H45N5O2
Molecular Weight423.65 g/mol
Exact Mass423.36
IUPAC Namemethyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate
SMILESCCN/C(=N/CCCN(C)CC1CCCC(N/C(=N/C2CCCCC2)OC)C1)OC
InChIInChI=1S/C23H45N5O2/c1-5-24-22(29-3)25-15-10-16-28(2)18-19-11-9-14-21(17-19)27-23(30-4)26-20-12-7-6-8-13-20/h19-21H,5-18H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyVOTNCRCBIXUKHN-UHFFFAOYSA-N
XLogP3.40
TPSA70.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate with MolForge

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Related Compounds

methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate
CID 176546648
2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
CID 64750200
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
methyl 1-[N'-[3-[cyclohexyl(methyl)amino]propyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254287
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
2-[3-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499
1-cyclopentyl-3-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 110991769
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646
2-[[ethylamino-[(3-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041706
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324

Frequently Asked Questions

What is the IUPAC name of methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate?
The IUPAC name of methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate (CID 135279819) is methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate.
What is the SMILES notation for methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate?
The canonical SMILES for methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate is CCN/C(=N/CCCN(C)CC1CCCC(N/C(=N/C2CCCCC2)OC)C1)OC.
What is the InChIKey of methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate?
The InChIKey is VOTNCRCBIXUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O2/c1-5-24-22(29-3)25-15-10-16-28(2)18-19-11-9-14-21(17-19)27-23(30-4)26-20-12-7-6-8-13-20/h19-21H,5-18H2,1-4H3,(H,24,25)(H,26,27).
What are the key properties of methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate?
methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate has a molecular weight of 423.65 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate is sourced from PubChem (CID 135279819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).