1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

C20H39N5O — CID 111911816

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C20H39N5O/c1-2-25-10-6-7-18(25)15-22-19(21)23-16-20(8-4-3-5-9-20)17-24-11-13-26-14-12-24/h18H,2-17H2,1H3,(H3,21,22,23)
InChIKeyXFFMNYMQGKBOMI-UHFFFAOYSA-N
MW365.57 g/mol
LogP1.66
Rot. Bonds7

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (PubChem CID 111911816) has the molecular formula C20H39N5O and a molecular weight of 365.57 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
PubChem CID111911816
Molecular FormulaC20H39N5O
Molecular Weight365.57 g/mol
Exact Mass365.32
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C20H39N5O/c1-2-25-10-6-7-18(25)15-22-19(21)23-16-20(8-4-3-5-9-20)17-24-11-13-26-14-12-24/h18H,2-17H2,1H3,(H3,21,22,23)
InChIKeyXFFMNYMQGKBOMI-UHFFFAOYSA-N
XLogP1.66
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111911902
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
CID 111911840
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111081165
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(8-hydroxy-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanyl)methyl]guanidine
CID 122082232
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
CID 111032192
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]guanidine
CID 111068341
2-[(1-ethylpiperidin-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111803463
1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
CID 111911876
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111261925
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065950
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (CID 111911816) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is CCN1CCCC1CN/C(N)=N/CC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The InChIKey is XFFMNYMQGKBOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O/c1-2-25-10-6-7-18(25)15-22-19(21)23-16-20(8-4-3-5-9-20)17-24-11-13-26-14-12-24/h18H,2-17H2,1H3,(H3,21,22,23).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine has a molecular weight of 365.57 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 111911816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).