pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate

C18H35N3O2 — CID 66704392

IUPACpentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate
SMILESCCCCCO/C(=N\CCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-2-3-7-14-23-18(20-17-8-5-4-6-9-17)19-10-11-21-12-15-22-16-13-21/h17H,2-16H2,1H3,(H,19,20)
InChIKeyBXGPQNFTKFVSMP-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.80
Rot. Bonds8

About pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate

pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate (PubChem CID 66704392) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate.

Molecular Properties

Compound Namepentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate
PubChem CID66704392
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Namepentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate
SMILESCCCCCO/C(=N\CCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-2-3-7-14-23-18(20-17-8-5-4-6-9-17)19-10-11-21-12-15-22-16-13-21/h17H,2-16H2,1H3,(H,19,20)
InChIKeyBXGPQNFTKFVSMP-UHFFFAOYSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate
CID 67212214
N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide
CID 121357198
N'-cyclohexyl-N-hexan-3-ylmorpholine-4-carboximidamide;molecular hydrogen
CID 142339341
2-Cyclohexyl-1-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 62367901
2-(Morpholin-4-yl)ethyl N,N'-dicyclohexylcarbamimidate
CID 85795098
N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanimidamide
CID 101831466
1-Cyclohexyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110957251
1-Cyclohexyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110957252
1-[2-[Cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110971727
1-[2-[Cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020958
1-[2-[Cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111020959
1-[3-[Cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111020961

Frequently Asked Questions

What is the IUPAC name of pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate?
The IUPAC name of pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate (CID 66704392) is pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate.
What is the SMILES notation for pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate?
The canonical SMILES for pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate is CCCCCO/C(=N\CCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate?
The InChIKey is BXGPQNFTKFVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-3-7-14-23-18(20-17-8-5-4-6-9-17)19-10-11-21-12-15-22-16-13-21/h17H,2-16H2,1H3,(H,19,20).
What are the key properties of pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate?
pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate has a molecular weight of 325.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-cyclohexyl-N'-(2-morpholin-4-ylethyl)carbamimidate is sourced from PubChem (CID 66704392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).