2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine

C16H32N4O — CID 111081671

IUPAC2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NCC1CCCC(C)C1
InChIInChI=1S/C16H32N4O/c1-14-4-3-5-15(12-14)13-19-16(17-2)18-6-7-20-8-10-21-11-9-20/h14-15H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyXHSPZWWVKRADLU-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.31
Rot. Bonds5

About 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine

2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111081671) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111081671
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NCC1CCCC(C)C1
InChIInChI=1S/C16H32N4O/c1-14-4-3-5-15(12-14)13-19-16(17-2)18-6-7-20-8-10-21-11-9-20/h14-15H,3-13H2,1-2H3,(H2,17,18,19)
InChIKeyXHSPZWWVKRADLU-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.31
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-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111557978
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056809
1-ethyl-2-[(3-methylcyclohexyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971650
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111032974
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
tert-butyl N-[2-[[N'-methyl-N-[(3-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884497
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111032973
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111658323
1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111962409
2-methyl-1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111055071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111081671) is 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine is C/N=C(\NCCN1CCOCC1)NCC1CCCC(C)C1.
What is the InChIKey of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is XHSPZWWVKRADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14-4-3-5-15(12-14)13-19-16(17-2)18-6-7-20-8-10-21-11-9-20/h14-15H,3-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine?
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 296.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111081671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).