1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine

C10H22N4 — CID 104882378

IUPAC1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCC(C)(C)C1
InChIInChI=1S/C10H22N4/c1-10(2)6-4-5-8(7-10)13-9(12-3)14-11/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyXIRWFELNDHJPHM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds1

About 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine

1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine (PubChem CID 104882378) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine
PubChem CID104882378
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCC(C)(C)C1
InChIInChI=1S/C10H22N4/c1-10(2)6-4-5-8(7-10)13-9(12-3)14-11/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyXIRWFELNDHJPHM-UHFFFAOYSA-N
XLogP0.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine (CID 104882378) is 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine is C/N=C(\NN)NC1CCCC(C)(C)C1.
What is the InChIKey of 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine?
The InChIKey is XIRWFELNDHJPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-10(2)6-4-5-8(7-10)13-9(12-3)14-11/h8H,4-7,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine?
1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine is sourced from PubChem (CID 104882378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).