2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine

C14H27N3O — CID 62361856

IUPAC2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
SMILESCN(CC1CCCCO1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-17(11-13-9-5-6-10-18-13)14(15)16-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyNRPRCANRRFMUIC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.13
Rot. Bonds3

About 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine

2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine (PubChem CID 62361856) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
PubChem CID62361856
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
SMILESCN(CC1CCCCO1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-17(11-13-9-5-6-10-18-13)14(15)16-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyNRPRCANRRFMUIC-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine (CID 62361856) is 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine is CN(CC1CCCCO1)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
The InChIKey is NRPRCANRRFMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17(11-13-9-5-6-10-18-13)14(15)16-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methyl-1-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 62361856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).