1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine

C11H23N3O — CID 65123888

IUPAC1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESCCC1CCC(O)(CN/C(N)=N/C)CC1
InChIInChI=1S/C11H23N3O/c1-3-9-4-6-11(15,7-5-9)8-14-10(12)13-2/h9,15H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyFTHZEFBJTLLSMG-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.85
Rot. Bonds3

About 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine

1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine (PubChem CID 65123888) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
PubChem CID65123888
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
SMILESCCC1CCC(O)(CN/C(N)=N/C)CC1
InChIInChI=1S/C11H23N3O/c1-3-9-4-6-11(15,7-5-9)8-14-10(12)13-2/h9,15H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyFTHZEFBJTLLSMG-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.85
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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine (CID 65123888) is 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine is CCC1CCC(O)(CN/C(N)=N/C)CC1.
What is the InChIKey of 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine?
The InChIKey is FTHZEFBJTLLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9-4-6-11(15,7-5-9)8-14-10(12)13-2/h9,15H,3-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine?
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine has a molecular weight of 213.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine is sourced from PubChem (CID 65123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).