1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine

C16H35N5 — CID 111415705

IUPAC1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN(CC)C(C)CN/C(=N\C)NCCN1CCCCC1
InChIInChI=1S/C16H35N5/c1-5-21(6-2)15(3)14-19-16(17-4)18-10-13-20-11-8-7-9-12-20/h15H,5-14H2,1-4H3,(H2,17,18,19)
InChIKeyDSONDSKYAGOVRI-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.37
Rot. Bonds8

About 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine

1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine (PubChem CID 111415705) has the molecular formula C16H35N5 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
PubChem CID111415705
Molecular FormulaC16H35N5
Molecular Weight297.49 g/mol
Exact Mass297.29
IUPAC Name1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN(CC)C(C)CN/C(=N\C)NCCN1CCCCC1
InChIInChI=1S/C16H35N5/c1-5-21(6-2)15(3)14-19-16(17-4)18-10-13-20-11-8-7-9-12-20/h15H,5-14H2,1-4H3,(H2,17,18,19)
InChIKeyDSONDSKYAGOVRI-UHFFFAOYSA-N
XLogP1.37
TPSA42.90 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416482
1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415942
2-methyl-1-(4-methylpentyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416788
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000762
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106
1-(2-ethylsulfonylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416549
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111325290
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-[2-(diethylamino)propyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111129262
1-[2-(azepan-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939744
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415817
N-butan-2-yl-3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111415168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine (CID 111415705) is 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine is CCN(CC)C(C)CN/C(=N\C)NCCN1CCCCC1.
What is the InChIKey of 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is DSONDSKYAGOVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5/c1-5-21(6-2)15(3)14-19-16(17-4)18-10-13-20-11-8-7-9-12-20/h15H,5-14H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine?
1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 297.49 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111415705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).