2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine

C12H28N4 — CID 111025376

IUPAC2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine
SMILESCCN(CC)CCCN=C(N(C)C)N(C)C
InChIInChI=1S/C12H28N4/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6/h7-11H2,1-6H3
InChIKeyFNWUARPWMBUTEP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.20
Rot. Bonds6

About 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine

2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111025376) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine
PubChem CID111025376
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine
SMILESCCN(CC)CCCN=C(N(C)C)N(C)C
InChIInChI=1S/C12H28N4/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6/h7-11H2,1-6H3
InChIKeyFNWUARPWMBUTEP-UHFFFAOYSA-N
XLogP1.20
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine (CID 111025376) is 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine is CCN(CC)CCCN=C(N(C)C)N(C)C.
What is the InChIKey of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is FNWUARPWMBUTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6/h7-11H2,1-6H3.
What are the key properties of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine?
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111025376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).