1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine

C13H27N5O — CID 104883095

IUPAC1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESNN/C(=N\CCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H27N5O/c14-17-13(16-12-4-2-1-3-5-12)15-6-7-18-8-10-19-11-9-18/h12H,1-11,14H2,(H2,15,16,17)
InChIKeyNNXCJIQBOGNGQJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.06
Rot. Bonds4

About 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine

1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 104883095) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID104883095
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
SMILESNN/C(=N\CCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H27N5O/c14-17-13(16-12-4-2-1-3-5-12)15-6-7-18-8-10-19-11-9-18/h12H,1-11,14H2,(H2,15,16,17)
InChIKeyNNXCJIQBOGNGQJ-UHFFFAOYSA-N
XLogP0.06
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
CID 55064108
1-Cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 55064203
2-Cyclohexyl-1-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 62367901
1-Amino-2-methyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 104882166
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882509
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882517
1-Amino-3-cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 104882626
1-Amino-3-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 104882704
1-Amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882763
1-Amino-3-cyclohexyl-2-(2-methoxyethyl)guanidine
CID 104882772
1-Amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104882997
1-Amino-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104883007

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine (CID 104883095) is 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine is NN/C(=N\CCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is NNXCJIQBOGNGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c14-17-13(16-12-4-2-1-3-5-12)15-6-7-18-8-10-19-11-9-18/h12H,1-11,14H2,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine?
1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 269.39 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 104883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).