1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine

C15H24N4O — CID 116512151

IUPAC1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
SMILESCOc1ccc(C)cc1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H24N4O/c1-11-8-9-14(20-2)13(10-11)18-15(19-16)17-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3,(H2,17,18,19)
InChIKeyUJNNXTVTPHDYLA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds3

About 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine

1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine (PubChem CID 116512151) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
PubChem CID116512151
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
SMILESCOc1ccc(C)cc1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C15H24N4O/c1-11-8-9-14(20-2)13(10-11)18-15(19-16)17-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3,(H2,17,18,19)
InChIKeyUJNNXTVTPHDYLA-UHFFFAOYSA-N
XLogP2.57
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
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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Related Compounds

1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
CID 116514289
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
CID 116516391
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
CID 62921240
1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea
CID 17089145
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
1-amino-3-(2-bromo-5-iodophenyl)-2-cyclopentylguanidine
CID 114261798

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine (CID 116512151) is 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine is COc1ccc(C)cc1N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine?
The InChIKey is UJNNXTVTPHDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-8-9-14(20-2)13(10-11)18-15(19-16)17-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine?
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine has a molecular weight of 276.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine is sourced from PubChem (CID 116512151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).