3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine

C14H33N5O — CID 102999149

IUPAC3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CCCOC)NN
InChIInChI=1S/C14H33N5O/c1-5-18(6-2)11-9-12-19(7-3)14(17-15)16-10-8-13-20-4/h5-13,15H2,1-4H3,(H,16,17)
InChIKeyDAKVXKCVKCSQIP-UHFFFAOYSA-N
MW287.45 g/mol
LogP0.90
Rot. Bonds11

About 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine

3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine (PubChem CID 102999149) has the molecular formula C14H33N5O and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine
PubChem CID102999149
Molecular FormulaC14H33N5O
Molecular Weight287.45 g/mol
Exact Mass287.27
IUPAC Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CCCOC)NN
InChIInChI=1S/C14H33N5O/c1-5-18(6-2)11-9-12-19(7-3)14(17-15)16-10-8-13-20-4/h5-13,15H2,1-4H3,(H,16,17)
InChIKeyDAKVXKCVKCSQIP-UHFFFAOYSA-N
XLogP0.90
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine?
The IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine (CID 102999149) is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine is CCN(CC)CCCN(CC)/C(=N\CCCOC)NN.
What is the InChIKey of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine?
The InChIKey is DAKVXKCVKCSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5O/c1-5-18(6-2)11-9-12-19(7-3)14(17-15)16-10-8-13-20-4/h5-13,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine?
3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine has a molecular weight of 287.45 g/mol, XLogP of 0.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 102999149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).