1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine

C15H32N4O — CID 104884008

IUPAC1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC(CC)C1CCCCC1
InChIInChI=1S/C15H32N4O/c1-3-14(13-9-6-5-7-10-13)18-15(19-16)17-11-8-12-20-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyFGEYYLFTSBLGKY-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.18
Rot. Bonds8

About 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine

1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine (PubChem CID 104884008) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
PubChem CID104884008
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC(CC)C1CCCCC1
InChIInChI=1S/C15H32N4O/c1-3-14(13-9-6-5-7-10-13)18-15(19-16)17-11-8-12-20-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyFGEYYLFTSBLGKY-UHFFFAOYSA-N
XLogP2.18
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
CID 104884009
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
CID 104888226
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
CID 104889055
(1-cycloheptyl-4-ethoxybutyl)hydrazine
CID 105330658
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
CID 104886733
(1-cyclohexyl-3-ethoxypropyl)hydrazine
CID 105282116
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 104885638
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-amino-2-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)ethyl]guanidine
CID 116513978
1-amino-3-[1-(4-bromophenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 116514349
1-amino-2-(3-ethoxypropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 116514487

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine (CID 104884008) is 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NC(CC)C1CCCCC1.
What is the InChIKey of 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine?
The InChIKey is FGEYYLFTSBLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-3-14(13-9-6-5-7-10-13)18-15(19-16)17-11-8-12-20-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine?
1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine has a molecular weight of 284.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104884008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).