1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine

C14H27N3O — CID 110031531

IUPAC1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine
SMILESCN(/C(N)=N/CC1(CCO)CCCCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-17(12-5-6-12)13(15)16-11-14(9-10-18)7-3-2-4-8-14/h12,18H,2-11H2,1H3,(H2,15,16)
InChIKeyBRCRWEJFBUUGIJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.73
Rot. Bonds5

About 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine

1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine (PubChem CID 110031531) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine
PubChem CID110031531
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine
SMILESCN(/C(N)=N/CC1(CCO)CCCCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-17(12-5-6-12)13(15)16-11-14(9-10-18)7-3-2-4-8-14/h12,18H,2-11H2,1H3,(H2,15,16)
InChIKeyBRCRWEJFBUUGIJ-UHFFFAOYSA-N
XLogP1.73
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine (CID 110031531) is 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine is CN(/C(N)=N/CC1(CCO)CCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine?
The InChIKey is BRCRWEJFBUUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17(12-5-6-12)13(15)16-11-14(9-10-18)7-3-2-4-8-14/h12,18H,2-11H2,1H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine?
1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine has a molecular weight of 253.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine is sourced from PubChem (CID 110031531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).