2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine

C16H30N4O — CID 111911840

IUPAC2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H30N4O/c1-2-8-18-15(17)19-13-16(6-4-3-5-7-16)14-20-9-11-21-12-10-20/h2H,1,3-14H2,(H3,17,18,19)
InChIKeyOCMXDZBBPKXZGH-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.36
Rot. Bonds6

About 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine

2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine (PubChem CID 111911840) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
PubChem CID111911840
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H30N4O/c1-2-8-18-15(17)19-13-16(6-4-3-5-7-16)14-20-9-11-21-12-10-20/h2H,1,3-14H2,(H3,17,18,19)
InChIKeyOCMXDZBBPKXZGH-UHFFFAOYSA-N
XLogP1.36
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111911902
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
CID 111911816
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
CID 111911876
2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137062612
2-[2-(4-hydroxyoxan-4-yl)ethyl]-1-prop-2-enylguanidine;hydroiodide
CID 137158975
1-(2,5-diethoxyphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 111911833
2-[(1-methylsulfonylcyclopropyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120662733
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137136827
4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide
CID 75470847
2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine (CID 111911840) is 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine?
The InChIKey is OCMXDZBBPKXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-8-18-15(17)19-13-16(6-4-3-5-7-16)14-20-9-11-21-12-10-20/h2H,1,3-14H2,(H3,17,18,19).
What are the key properties of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine?
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine has a molecular weight of 294.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 111911840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).