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

C14H29N5O — CID 104883475

IUPAC1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESNN/C(=N\CCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C14H29N5O/c15-18-14(17-13-5-2-1-3-6-13)16-7-4-8-19-9-11-20-12-10-19/h13H,1-12,15H2,(H2,16,17,18)
InChIKeyIDRCXUNEURGLHG-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.45
Rot. Bonds5

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

1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 104883475) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID104883475
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESNN/C(=N\CCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C14H29N5O/c15-18-14(17-13-5-2-1-3-6-13)16-7-4-8-19-9-11-20-12-10-19/h13H,1-12,15H2,(H2,16,17,18)
InChIKeyIDRCXUNEURGLHG-UHFFFAOYSA-N
XLogP0.45
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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
1-Cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 55064203
1-Cyclohexyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 78931960
1-Amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 104881971
1-Amino-2-methyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 104882166
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-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104882999

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 104883475) is 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine is NN/C(=N\CCCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is IDRCXUNEURGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c15-18-14(17-13-5-2-1-3-6-13)16-7-4-8-19-9-11-20-12-10-19/h13H,1-12,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-amino-3-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 283.42 g/mol, XLogP of 0.45, 5 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-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 104883475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).