2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine

C17H30N4 — CID 111600570

IUPAC2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine
SMILESCCCN(CC)CCN/C(=N/Cc1ccccc1)N(C)C
InChIInChI=1S/C17H30N4/c1-5-13-21(6-2)14-12-18-17(20(3)4)19-15-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3,(H,18,19)
InChIKeyRLPZGOVSXYDTOZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.43
Rot. Bonds8

About 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine

2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine (PubChem CID 111600570) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine
PubChem CID111600570
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine
SMILESCCCN(CC)CCN/C(=N/Cc1ccccc1)N(C)C
InChIInChI=1S/C17H30N4/c1-5-13-21(6-2)14-12-18-17(20(3)4)19-15-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3,(H,18,19)
InChIKeyRLPZGOVSXYDTOZ-UHFFFAOYSA-N
XLogP2.43
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-benzyl-3-[4-(diethylamino)butyl]-1,1-dimethylguanidine
CID 111060043
2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine
CID 111096553
3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
CID 111068269
2-benzyl-1,1-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 111492828
2-benzyl-1,1-dimethyl-3-pent-3-enylguanidine
CID 111587965
2-benzyl-1,1-dimethyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111036891
methyl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063956
2-benzyl-1,1-dimethyl-3-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032058
2-benzyl-1,1-dimethyl-3-(4-phenylmethoxybutyl)guanidine
CID 111093695
2-benzyl-3-(2,2-difluoroethyl)-1,1-dimethylguanidine;hydroiodide
CID 111757669
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine?
The IUPAC name of 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine (CID 111600570) is 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine is CCCN(CC)CCN/C(=N/Cc1ccccc1)N(C)C.
What is the InChIKey of 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine?
The InChIKey is RLPZGOVSXYDTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-13-21(6-2)14-12-18-17(20(3)4)19-15-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3,(H,18,19).
What are the key properties of 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine?
2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine has a molecular weight of 290.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine is sourced from PubChem (CID 111600570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).