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

C18H32N4 — CID 111055283

IUPAC2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCCN(CC)C(CN=C(N(C)C)N(C)C)Cc1ccccc1
InChIInChI=1S/C18H32N4/c1-7-22(8-2)17(14-16-12-10-9-11-13-16)15-19-18(20(3)4)21(5)6/h9-13,17H,7-8,14-15H2,1-6H3
InChIKeySPCNHMISKOXROY-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.42
Rot. Bonds7

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

2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111055283) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
PubChem CID111055283
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCCN(CC)C(CN=C(N(C)C)N(C)C)Cc1ccccc1
InChIInChI=1S/C18H32N4/c1-7-22(8-2)17(14-16-12-10-9-11-13-16)15-19-18(20(3)4)21(5)6/h9-13,17H,7-8,14-15H2,1-6H3
InChIKeySPCNHMISKOXROY-UHFFFAOYSA-N
XLogP2.42
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
CID 110924642
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111055254
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111820252
1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228014
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
2-[2-(diethylamino)-3-phenylpropyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine (CID 111055283) is 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine is CCN(CC)C(CN=C(N(C)C)N(C)C)Cc1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is SPCNHMISKOXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-7-22(8-2)17(14-16-12-10-9-11-13-16)15-19-18(20(3)4)21(5)6/h9-13,17H,7-8,14-15H2,1-6H3.
What are the key properties of 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine?
2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 304.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111055283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).