1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C20H41N5O — CID 111020961

IUPAC1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCN(C)C1CCCCC1
InChIInChI=1S/C20H41N5O/c1-4-21-20(23-17-18(2)25-13-15-26-16-14-25)22-11-8-12-24(3)19-9-6-5-7-10-19/h18-19H,4-17H2,1-3H3,(H2,21,22,23)
InChIKeyMWSAYHGKCJNCLV-UHFFFAOYSA-N
MW367.58 g/mol
LogP1.92
Rot. Bonds9

About 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111020961) has the molecular formula C20H41N5O and a molecular weight of 367.58 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111020961
Molecular FormulaC20H41N5O
Molecular Weight367.58 g/mol
Exact Mass367.33
IUPAC Name1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCN(C)C1CCCCC1
InChIInChI=1S/C20H41N5O/c1-4-21-20(23-17-18(2)25-13-15-26-16-14-25)22-11-8-12-24(3)19-9-6-5-7-10-19/h18-19H,4-17H2,1-3H3,(H2,21,22,23)
InChIKeyMWSAYHGKCJNCLV-UHFFFAOYSA-N
XLogP1.92
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 111020961) is 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCCN(C)C1CCCCC1.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is MWSAYHGKCJNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O/c1-4-21-20(23-17-18(2)25-13-15-26-16-14-25)22-11-8-12-24(3)19-9-6-5-7-10-19/h18-19H,4-17H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 367.58 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111020961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).