3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

C16H35N5 — CID 102999147

IUPAC3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C16H35N5/c1-4-20(5-2)13-10-14-21(6-3)16(19-17)18-15-11-8-7-9-12-15/h15H,4-14,17H2,1-3H3,(H,18,19)
InChIKeyXPHLQPJSPDEALD-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.19
Rot. Bonds8

About 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (PubChem CID 102999147) has the molecular formula C16H35N5 and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
PubChem CID102999147
Molecular FormulaC16H35N5
Molecular Weight297.49 g/mol
Exact Mass297.29
IUPAC Name3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C16H35N5/c1-4-20(5-2)13-10-14-21(6-3)16(19-17)18-15-11-8-7-9-12-15/h15H,4-14,17H2,1-3H3,(H,18,19)
InChIKeyXPHLQPJSPDEALD-UHFFFAOYSA-N
XLogP2.19
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
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 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine 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-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219
3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
CID 104886056
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (CID 102999147) is 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is CCN(CC)CCCN(CC)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The InChIKey is XPHLQPJSPDEALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5/c1-4-20(5-2)13-10-14-21(6-3)16(19-17)18-15-11-8-7-9-12-15/h15H,4-14,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine has a molecular weight of 297.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).