methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate

C22H43N5O2 — CID 176546648

IUPACmethyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate
SMILESCCN/C(=N/CCCN(C)C1CCC(N/C(=N/C2CCCCC2)OC)CC1)OC
InChIInChI=1S/C22H43N5O2/c1-5-23-21(28-3)24-16-9-17-27(2)20-14-12-19(13-15-20)26-22(29-4)25-18-10-7-6-8-11-18/h18-20H,5-17H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyXLHZZJZYXRFEGM-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.16
Rot. Bonds8

About methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate

methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate (PubChem CID 176546648) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate.

Molecular Properties

Compound Namemethyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate
PubChem CID176546648
Molecular FormulaC22H43N5O2
Molecular Weight409.62 g/mol
Exact Mass409.34
IUPAC Namemethyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate
SMILESCCN/C(=N/CCCN(C)C1CCC(N/C(=N/C2CCCCC2)OC)CC1)OC
InChIInChI=1S/C22H43N5O2/c1-5-23-21(28-3)24-16-9-17-27(2)20-14-12-19(13-15-20)26-22(29-4)25-18-10-7-6-8-11-18/h18-20H,5-17H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyXLHZZJZYXRFEGM-UHFFFAOYSA-N
XLogP3.16
TPSA70.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.16
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-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate with MolForge

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Related Compounds

methyl N'-cyclohexyl-N-[3-[[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]methyl]cyclohexyl]carbamimidate
CID 135279819
2-[3-[cyclohexyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190499
methyl 1-[N'-[3-[cyclohexyl(methyl)amino]propyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254287
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
1-butyl-2-[3-[cyclohexyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111057333
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111544898
1-cyclopentyl-3-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 110991769
1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-cyclopropylthiourea
CID 115614032
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814

Frequently Asked Questions

What is the IUPAC name of methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate?
The IUPAC name of methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate (CID 176546648) is methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate.
What is the SMILES notation for methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate?
The canonical SMILES for methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate is CCN/C(=N/CCCN(C)C1CCC(N/C(=N/C2CCCCC2)OC)CC1)OC.
What is the InChIKey of methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate?
The InChIKey is XLHZZJZYXRFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O2/c1-5-23-21(28-3)24-16-9-17-27(2)20-14-12-19(13-15-20)26-22(29-4)25-18-10-7-6-8-11-18/h18-20H,5-17H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate?
methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate has a molecular weight of 409.62 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-cyclohexyl-N-[4-[3-[[ethylamino(methoxy)methylidene]amino]propyl-methylamino]cyclohexyl]carbamimidate is sourced from PubChem (CID 176546648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).