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

C16H32N4O — CID 111032554

IUPAC1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCC(C)CN1CCOC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)11-20-8-9-21-15(12-20)10-18-16(17)19-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H3,17,18,19)
InChIKeyDXEWHSCGADEAEA-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.58
Rot. Bonds5

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

1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (PubChem CID 111032554) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
PubChem CID111032554
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCC(C)CN1CCOC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)11-20-8-9-21-15(12-20)10-18-16(17)19-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H3,17,18,19)
InChIKeyDXEWHSCGADEAEA-UHFFFAOYSA-N
XLogP1.58
TPSA62.88 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 ≤ 51.58
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'}

Analyze 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
CID 111368789
3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
CID 111032592
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032608
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111032584
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 109439850
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (CID 111032554) is 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is CC(C)CN1CCOC(C/N=C(\N)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The InChIKey is DXEWHSCGADEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)11-20-8-9-21-15(12-20)10-18-16(17)19-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine has a molecular weight of 296.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is sourced from PubChem (CID 111032554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).