1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine

C19H29N3O2 — CID 134099454

IUPAC1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC1CCCO1)Nc1ccccc1O
InChIInChI=1S/C19H29N3O2/c1-14-7-2-3-9-16(14)21-19(20-13-15-8-6-12-24-15)22-17-10-4-5-11-18(17)23/h4-5,10-11,14-16,23H,2-3,6-9,12-13H2,1H3,(H2,20,21,22)
InChIKeyNVELQWYABAEATH-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine

1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 134099454) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
PubChem CID134099454
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC1CCCO1)Nc1ccccc1O
InChIInChI=1S/C19H29N3O2/c1-14-7-2-3-9-16(14)21-19(20-13-15-8-6-12-24-15)22-17-10-4-5-11-18(17)23/h4-5,10-11,14-16,23H,2-3,6-9,12-13H2,1H3,(H2,20,21,22)
InChIKeyNVELQWYABAEATH-UHFFFAOYSA-N
XLogP3.51
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134111473
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
1-(5-fluoro-2-hydroxyphenyl)-2-(2-hydroxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099583
N-[N-(2-ethylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-methylbenzamide
CID 50820105
2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134099594
1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
CID 134099585
4-ethyl-N-[N-(2-ethylphenyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089986
2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134121687
N-[N-(3-chloro-2-methylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089664
N-[N-(2-ethylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-3-methylbenzamide
CID 94089975
3,4-dimethoxy-N-[N-(2-methoxyphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089938
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine (CID 134099454) is 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine is CC1CCCCC1N/C(=N\CC1CCCO1)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is NVELQWYABAEATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-7-2-3-9-16(14)21-19(20-13-15-8-6-12-24-15)22-17-10-4-5-11-18(17)23/h4-5,10-11,14-16,23H,2-3,6-9,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine?
1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 331.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 134099454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).