2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine

C15H30N4O — CID 111027624

IUPAC2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N4O/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18)
InChIKeyGXGSDCMDEXIBHM-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.34
Rot. Bonds5

About 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine

2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine (PubChem CID 111027624) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
PubChem CID111027624
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N4O/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18)
InChIKeyGXGSDCMDEXIBHM-UHFFFAOYSA-N
XLogP1.34
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.34
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'}

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Related Compounds

1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
1-(3-morpholin-4-ylpropyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111067628
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
1-tert-butyl-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 110966203
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098998
1-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-prop-2-ynylguanidine
CID 111003779
1-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972461
1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
CID 122095628
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003701
1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098991
1-ethyl-3-(4-methylsulfanylbutyl)-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111628914
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111004110

Frequently Asked Questions

What is the IUPAC name of 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine (CID 111027624) is 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine?
The InChIKey is GXGSDCMDEXIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-2-8-17-14(16)18-13-15(6-4-3-5-7-15)19-9-11-20-12-10-19/h2-13H2,1H3,(H3,16,17,18).
What are the key properties of 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine?
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine has a molecular weight of 282.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine is sourced from PubChem (CID 111027624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).