1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine

C14H29N5O — CID 104885530

IUPAC1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
SMILESCC(CN1CCOCC1)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H29N5O/c1-12(11-19-7-9-20-10-8-19)16-14(18-15)17-13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18)
InChIKeyOZRNLAKGEDLIKD-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.45
Rot. Bonds4

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

1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine (PubChem CID 104885530) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
PubChem CID104885530
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
SMILESCC(CN1CCOCC1)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H29N5O/c1-12(11-19-7-9-20-10-8-19)16-14(18-15)17-13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18)
InChIKeyOZRNLAKGEDLIKD-UHFFFAOYSA-N
XLogP0.45
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.45
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-[2-[(4,4-Difluorocyclohexyl)amino]-2-methoxyethyl]-2-methyl-3-(methylamino)guanidine
CID 132207765
N-cyclohexyl-6-(3,5-dimethylmorpholin-4-yl)-2H-1,3,5-triazin-1-amine
CID 141027428
1-Cyclohexyl-2-(2-morpholin-4-ylethyl)guanidine
CID 55064108
2-Cyclohexyl-1-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 62367901
1-Amino-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 104881945
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine (CID 104885530) is 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine is CC(CN1CCOCC1)N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine?
The InChIKey is OZRNLAKGEDLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-12(11-19-7-9-20-10-8-19)16-14(18-15)17-13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine?
1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine has a molecular weight of 283.42 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine is sourced from PubChem (CID 104885530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).