2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C18H35N3O2 — CID 111979003

IUPAC2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCOC1CCCCCC1)NC1CCC(O)CC1
InChIInChI=1S/C18H35N3O2/c1-2-19-18(21-15-9-11-16(22)12-10-15)20-13-14-23-17-7-5-3-4-6-8-17/h15-17,22H,2-14H2,1H3,(H2,19,20,21)
InChIKeyHESWYYGGFADHDS-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111979003) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111979003
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CCOC1CCCCCC1)NC1CCC(O)CC1
InChIInChI=1S/C18H35N3O2/c1-2-19-18(21-15-9-11-16(22)12-10-15)20-13-14-23-17-7-5-3-4-6-8-17/h15-17,22H,2-14H2,1H3,(H2,19,20,21)
InChIKeyHESWYYGGFADHDS-UHFFFAOYSA-N
XLogP2.58
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830404
ethyl 4-[[N'-(2-cycloheptyloxyethyl)-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111830671
2-(2-cycloheptyloxyethyl)-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111827751
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
CID 111190692
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318972
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111576436

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111979003) is 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CCOC1CCCCCC1)NC1CCC(O)CC1.
What is the InChIKey of 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is HESWYYGGFADHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-19-18(21-15-9-11-16(22)12-10-15)20-13-14-23-17-7-5-3-4-6-8-17/h15-17,22H,2-14H2,1H3,(H2,19,20,21).
What are the key properties of 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 325.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111979003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).