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

C9H20N4 — CID 104881995

IUPAC1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine
SMILESC/N=C(\NN)NC1CCCC(C)C1
InChIInChI=1S/C9H20N4/c1-7-4-3-5-8(6-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyCLLQCOZMZUOKPB-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.60
Rot. Bonds1

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

1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine (PubChem CID 104881995) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine
PubChem CID104881995
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine
SMILESC/N=C(\NN)NC1CCCC(C)C1
InChIInChI=1S/C9H20N4/c1-7-4-3-5-8(6-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyCLLQCOZMZUOKPB-UHFFFAOYSA-N
XLogP0.60
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.60
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-(3-methylcyclohexyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine (CID 104881995) is 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine is C/N=C(\NN)NC1CCCC(C)C1.
What is the InChIKey of 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine?
The InChIKey is CLLQCOZMZUOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-7-4-3-5-8(6-7)12-9(11-2)13-10/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine?
1-amino-2-methyl-3-(3-methylcyclohexyl)guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.60, 1 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-(3-methylcyclohexyl)guanidine is sourced from PubChem (CID 104881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).