1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine

C19H31N3O2 — CID 134091630

IUPAC1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
SMILESCCOCCC/N=C(\Nc1ccccc1O)NC1CCCCCC1
InChIInChI=1S/C19H31N3O2/c1-2-24-15-9-14-20-19(21-16-10-5-3-4-6-11-16)22-17-12-7-8-13-18(17)23/h7-8,12-13,16,23H,2-6,9-11,14-15H2,1H3,(H2,20,21,22)
InChIKeyWOCKVWOPYRENNF-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.90
Rot. Bonds7

About 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine

1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine (PubChem CID 134091630) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
PubChem CID134091630
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
SMILESCCOCCC/N=C(\Nc1ccccc1O)NC1CCCCCC1
InChIInChI=1S/C19H31N3O2/c1-2-24-15-9-14-20-19(21-16-10-5-3-4-6-11-16)22-17-12-7-8-13-18(17)23/h7-8,12-13,16,23H,2-6,9-11,14-15H2,1H3,(H2,20,21,22)
InChIKeyWOCKVWOPYRENNF-UHFFFAOYSA-N
XLogP3.90
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxypropyl)-N-(2-hydroxyphenyl)-2-methylpiperidine-1-carboximidamide
CID 134091636
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
1-(5-tert-butyl-2-hydroxyphenyl)-3-cycloheptyl-2-(2-methoxyethyl)guanidine
CID 134091720
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1-cyclopentyl-3-ethyl-2-[3-(4-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 110989774
1-cyclopropyl-3-ethyl-2-[3-(2-phenylethoxy)propyl]guanidine
CID 110989421
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060307
methyl 3-[[N-cyclohexyl-N'-[2-(4-hydroxyphenyl)ethyl]carbamimidoyl]amino]-4-hydroxybenzoate
CID 134111443
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine?
The IUPAC name of 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine (CID 134091630) is 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine.
What is the SMILES notation for 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine?
The canonical SMILES for 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine is CCOCCC/N=C(\Nc1ccccc1O)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine?
The InChIKey is WOCKVWOPYRENNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-24-15-9-14-20-19(21-16-10-5-3-4-6-11-16)22-17-12-7-8-13-18(17)23/h7-8,12-13,16,23H,2-6,9-11,14-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine?
1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine has a molecular weight of 333.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine is sourced from PubChem (CID 134091630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).