1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine

C17H28N4 — CID 116511634

IUPAC1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
SMILESCCc1cccc(CC)c1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C17H28N4/c1-3-13-9-8-10-14(4-2)16(13)20-17(21-18)19-15-11-6-5-7-12-15/h8-10,15H,3-7,11-12,18H2,1-2H3,(H2,19,20,21)
InChIKeyCRFIHVVAIVXQAJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine

1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine (PubChem CID 116511634) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
PubChem CID116511634
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
SMILESCCc1cccc(CC)c1N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C17H28N4/c1-3-13-9-8-10-14(4-2)16(13)20-17(21-18)19-15-11-6-5-7-12-15/h8-10,15H,3-7,11-12,18H2,1-2H3,(H2,19,20,21)
InChIKeyCRFIHVVAIVXQAJ-UHFFFAOYSA-N
XLogP3.38
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
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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Related Compounds

1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
CID 116511457
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
CID 116511707
1-amino-2-cyclohexyl-3-(2,6-dichloro-4-fluorophenyl)guanidine
CID 104887975
1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
CID 116515719
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
CID 108951577
1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515886
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine (CID 116511634) is 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine is CCc1cccc(CC)c1N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine?
The InChIKey is CRFIHVVAIVXQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-13-9-8-10-14(4-2)16(13)20-17(21-18)19-15-11-6-5-7-12-15/h8-10,15H,3-7,11-12,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine?
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine has a molecular weight of 288.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine is sourced from PubChem (CID 116511634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).