2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine

C15H29N3O — CID 119155537

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(O)C1CCCCC1)NC1CC1C
InChIInChI=1S/C15H29N3O/c1-3-16-15(18-13-9-11(13)2)17-10-14(19)12-7-5-4-6-8-12/h11-14,19H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyOREMHDHECZCKQQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.89
Rot. Bonds5

About 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine

2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 119155537) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID119155537
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(O)C1CCCCC1)NC1CC1C
InChIInChI=1S/C15H29N3O/c1-3-16-15(18-13-9-11(13)2)17-10-14(19)12-7-5-4-6-8-12/h11-14,19H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyOREMHDHECZCKQQ-UHFFFAOYSA-N
XLogP1.89
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine;hydroiodide
CID 119155262
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119155210
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109492515
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111622665
2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 119151835
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 119141972
1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
CID 111587997
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111961961
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961689
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611968
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine (CID 119155537) is 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CC(O)C1CCCCC1)NC1CC1C.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is OREMHDHECZCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-16-15(18-13-9-11(13)2)17-10-14(19)12-7-5-4-6-8-12/h11-14,19H,3-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 267.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 119155537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).