1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine

C14H22N4O — CID 116511370

IUPAC1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C14H22N4O/c1-19-13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h7-11H,2-6,15H2,1H3,(H2,16,17,18)
InChIKeyNRZUSPRAQQNEKT-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.26
Rot. Bonds3

About 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine

1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine (PubChem CID 116511370) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
PubChem CID116511370
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C14H22N4O/c1-19-13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h7-11H,2-6,15H2,1H3,(H2,16,17,18)
InChIKeyNRZUSPRAQQNEKT-UHFFFAOYSA-N
XLogP2.26
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.26
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

2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
CID 116514289
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514981
N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
CID 101272728
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine (CID 116511370) is 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine is COc1ccc(N/C(=N/C2CCCCC2)NN)cc1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine?
The InChIKey is NRZUSPRAQQNEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-19-13-9-7-12(8-10-13)17-14(18-15)16-11-5-3-2-4-6-11/h7-11H,2-6,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine?
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine has a molecular weight of 262.36 g/mol, XLogP of 2.26, 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-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 116511370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).