3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine

C15H24N4O — CID 116514049

IUPAC3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccccc1N(C)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H24N4O/c1-19(13-10-6-7-11-14(13)20-2)15(18-16)17-12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyMHPVFAYMVQSBOY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine

3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine (PubChem CID 116514049) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine
PubChem CID116514049
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccccc1N(C)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H24N4O/c1-19(13-10-6-7-11-14(13)20-2)15(18-16)17-12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyMHPVFAYMVQSBOY-UHFFFAOYSA-N
XLogP2.28
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine (CID 116514049) is 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine is COc1ccccc1N(C)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine?
The InChIKey is MHPVFAYMVQSBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19(13-10-6-7-11-14(13)20-2)15(18-16)17-12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine?
3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine has a molecular weight of 276.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine is sourced from PubChem (CID 116514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).