1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine

C17H33N3O — CID 143398662

IUPAC1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine
SMILESCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-21-14-13-18-17(19-15-9-5-3-6-10-15)20-16-11-7-4-8-12-16/h15-16H,2-14H2,1H3,(H2,18,19,20)
InChIKeyDWCPLDJEFGMOFS-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.22
Rot. Bonds6

About 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine

1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine (PubChem CID 143398662) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine
PubChem CID143398662
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine
SMILESCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-21-14-13-18-17(19-15-9-5-3-6-10-15)20-16-11-7-4-8-12-16/h15-16H,2-14H2,1H3,(H2,18,19,20)
InChIKeyDWCPLDJEFGMOFS-UHFFFAOYSA-N
XLogP3.22
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclohexyl-4-morpholinecarboxamidine
CID 21079
N-cyclohexyl-N'-methylmorpholine-4-carboximidamide
CID 172436430
N,N'-dicyclohexyl-1-morpholin-4-ium-4-ylidenemethanediamine
CID 6339130
N,N'-dicyclohexyl-4-morpholinecarboximidamide hydrochloride
CID 9996696
1,3-Dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine
CID 58030637
1,3-Dicyclohexyl-2-(2-methoxyethyl)guanidine
CID 58030657
1,3-Dicyclohexyl-2-(4-methoxybutyl)guanidine
CID 58988604
N,N'-dicyclohexylmorpholin-4-ium-4-carboximidamide
CID 59981783
2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate
CID 67212214
1,3-Dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
1,3-Dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
CID 118456425
2-[2-(2-Aminoethoxy)ethyl]-1,3-dicyclohexylguanidine
CID 118456437

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine (CID 143398662) is 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine is CCOCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine?
The InChIKey is DWCPLDJEFGMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-21-14-13-18-17(19-15-9-5-3-6-10-15)20-16-11-7-4-8-12-16/h15-16H,2-14H2,1H3,(H2,18,19,20).
What are the key properties of 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine?
1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine has a molecular weight of 295.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-(2-ethoxyethyl)guanidine is sourced from PubChem (CID 143398662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).