2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine

C19H36N4O — CID 111713768

IUPAC2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N\C)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H36N4O/c1-3-7-16-14-17(16)22-18(20-2)21-15-19(8-5-4-6-9-19)23-10-12-24-13-11-23/h16-17H,3-15H2,1-2H3,(H2,20,21,22)
InChIKeyMPJQKDGYHOGPJG-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine

2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713768) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
PubChem CID111713768
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N\C)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H36N4O/c1-3-7-16-14-17(16)22-18(20-2)21-15-19(8-5-4-6-9-19)23-10-12-24-13-11-23/h16-17H,3-15H2,1-2H3,(H2,20,21,22)
InChIKeyMPJQKDGYHOGPJG-UHFFFAOYSA-N
XLogP2.38
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.38
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

2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111140323
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 119148717
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004488
1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111123659
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111826885
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003344
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111003183
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003466
N,N-dimethyl-3-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111004204
ethyl 4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanoate
CID 111003577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine (CID 111713768) is 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N\C)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine?
The InChIKey is MPJQKDGYHOGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-3-7-16-14-17(16)22-18(20-2)21-15-19(8-5-4-6-9-19)23-10-12-24-13-11-23/h16-17H,3-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine?
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine has a molecular weight of 336.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).