1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C13H29N5 — CID 104882522

IUPAC1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C13H29N5/c1-11(2)18(3)10-9-15-13(17-14)16-12-7-5-4-6-8-12/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyYUDKLUGWSVVSCI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.07
Rot. Bonds5

About 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 104882522) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID104882522
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C13H29N5/c1-11(2)18(3)10-9-15-13(17-14)16-12-7-5-4-6-8-12/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyYUDKLUGWSVVSCI-UHFFFAOYSA-N
XLogP1.07
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.07
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'}

Analyze 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]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

1-Amino-2-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937749
1-Amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
CID 131052493
1-Amino-3-(2,2-difluorocyclohexyl)-2-methylguanidine
CID 131097772
1-Amino-2,3-dicyclohexylguanidine
CID 9816156
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547
3-Amino-1-(4-aminocyclohexyl)-1,2-dimethylguanidine
CID 17968550
1-Amino-3-(4-aminocyclohexyl)-1,2-dimethylguanidine
CID 17968558
1-Amino-2-[4-(ethylamino)cyclohexyl]-1-methylguanidine
CID 17968560
1-Amino-3-[4-(dimethylamino)cyclohexyl]-2-methylguanidine
CID 17968570
3-Amino-1-(4-aminocyclohexyl)-1,2-dimethylguanidine;hydrochloride
CID 17968580
2-Hydrazonooctahydro-1H-benzo[d]imidazole
CID 20261901

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 104882522) is 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is CC(C)N(C)CC/N=C(\NN)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is YUDKLUGWSVVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-11(2)18(3)10-9-15-13(17-14)16-12-7-5-4-6-8-12/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 255.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 104882522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).