1,2-dimethyl-3-(1-methylcyclohexyl)guanidine

C10H21N3 — CID 3042093

IUPAC1,2-dimethyl-3-(1-methylcyclohexyl)guanidine
SMILESC/N=C(\NC)NC1(C)CCCCC1
InChIInChI=1S/C10H21N3/c1-10(7-5-4-6-8-10)13-9(11-2)12-3/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyXQDZREOVFHDSDB-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.50
Rot. Bonds1

About 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine

1,2-dimethyl-3-(1-methylcyclohexyl)guanidine (PubChem CID 3042093) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-methylcyclohexyl)guanidine
PubChem CID3042093
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1,2-dimethyl-3-(1-methylcyclohexyl)guanidine
SMILESC/N=C(\NC)NC1(C)CCCCC1
InChIInChI=1S/C10H21N3/c1-10(7-5-4-6-8-10)13-9(11-2)12-3/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyXQDZREOVFHDSDB-UHFFFAOYSA-N
XLogP1.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine (CID 3042093) is 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine is C/N=C(\NC)NC1(C)CCCCC1.
What is the InChIKey of 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine?
The InChIKey is XQDZREOVFHDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(7-5-4-6-8-10)13-9(11-2)12-3/h4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine?
1,2-dimethyl-3-(1-methylcyclohexyl)guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-methylcyclohexyl)guanidine is sourced from PubChem (CID 3042093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).