1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine

C10H22N4 — CID 104882054

IUPAC1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NN)NCC1CCCCC1C
InChIInChI=1S/C10H22N4/c1-8-5-3-4-6-9(8)7-13-10(12-2)14-11/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyDDXDBSRLJKVQGW-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine

1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine (PubChem CID 104882054) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
PubChem CID104882054
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NN)NCC1CCCCC1C
InChIInChI=1S/C10H22N4/c1-8-5-3-4-6-9(8)7-13-10(12-2)14-11/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyDDXDBSRLJKVQGW-UHFFFAOYSA-N
XLogP0.85
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
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-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine (CID 104882054) is 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine is C/N=C(\NN)NCC1CCCCC1C.
What is the InChIKey of 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The InChIKey is DDXDBSRLJKVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8-5-3-4-6-9(8)7-13-10(12-2)14-11/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 104882054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).