1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine

C17H34N4 — CID 104888437

IUPAC1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
SMILESCC1(C)CC(N/C(=N/C2CCCCC2)NN)CC(C)(C)C1
InChIInChI=1S/C17H34N4/c1-16(2)10-14(11-17(3,4)12-16)20-15(21-18)19-13-8-6-5-7-9-13/h13-14H,5-12,18H2,1-4H3,(H2,19,20,21)
InChIKeyMXUXAQUBWCPXIC-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.33
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine

1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine (PubChem CID 104888437) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
PubChem CID104888437
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
SMILESCC1(C)CC(N/C(=N/C2CCCCC2)NN)CC(C)(C)C1
InChIInChI=1S/C17H34N4/c1-16(2)10-14(11-17(3,4)12-16)20-15(21-18)19-13-8-6-5-7-9-13/h13-14H,5-12,18H2,1-4H3,(H2,19,20,21)
InChIKeyMXUXAQUBWCPXIC-UHFFFAOYSA-N
XLogP3.33
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.33
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'}

Analyze 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[6-[[Amino-[(3,3-dimethylcyclohexyl)amino]methylidene]amino]hexylamino]hexyl]-1-(3,3-dimethylcyclohexyl)guanidine
CID 15753755
2-[(5-Amino-1,3,3-trimethylcyclohexyl)methyl]-1,3-dicyclohexylguanidine
CID 118456438
1-[3-(Aminomethyl)-3,5,5-trimethylcyclohexyl]-2,3-dicyclohexylguanidine
CID 118456448
1-[6-[6-[[Amino-[(3,3-dimethylcyclohexyl)amino]methylidene]amino]hexylamino]hexyl]-2-(3,3-dimethylcyclohexyl)guanidine
CID 176526357
2-Cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 103967055
1-[1-(1-Adamantyl)ethyl]-3-amino-2-methylguanidine
CID 104881931
1-Amino-2-methyl-3-(3-methylcyclohexyl)guanidine
CID 104881995
1-Amino-3-(2,4-dimethylcyclohexyl)-2-methylguanidine
CID 104882255
1-Amino-3-(4,4-dimethylcyclohexyl)-2-methylguanidine
CID 104882286
1-Amino-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 104882299
1-Amino-3-(2,2-dimethylcyclohexyl)-2-methylguanidine
CID 104882347
1-Amino-3-(3,3-dimethylcyclohexyl)-2-methylguanidine
CID 104882378

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine (CID 104888437) is 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine is CC1(C)CC(N/C(=N/C2CCCCC2)NN)CC(C)(C)C1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The InChIKey is MXUXAQUBWCPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-16(2)10-14(11-17(3,4)12-16)20-15(21-18)19-13-8-6-5-7-9-13/h13-14H,5-12,18H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine?
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine has a molecular weight of 294.49 g/mol, XLogP of 3.33, 2 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-(3,3,5,5-tetramethylcyclohexyl)guanidine is sourced from PubChem (CID 104888437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).