3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine

C9H23N5 — CID 102999139

IUPAC3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C)NN
InChIInChI=1S/C9H23N5/c1-5-14(9(11-2)12-10)8-6-7-13(3)4/h5-8,10H2,1-4H3,(H,11,12)
InChIKeyFOIULRMPUBNKRS-UHFFFAOYSA-N
MW201.32 g/mol
LogP-0.29
Rot. Bonds5

About 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine

3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine (PubChem CID 102999139) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine
PubChem CID102999139
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C)NN
InChIInChI=1S/C9H23N5/c1-5-14(9(11-2)12-10)8-6-7-13(3)4/h5-8,10H2,1-4H3,(H,11,12)
InChIKeyFOIULRMPUBNKRS-UHFFFAOYSA-N
XLogP-0.29
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

3-Amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884435
3-Amino-2-butyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884475
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
3-Amino-2-propan-2-yl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884481
3-Amino-2-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
3-Amino-1-methyl-2-propyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887039
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)hydrazine
CID 17856659
1-Amino-2-[3-(diethylamino)propyl]guanidine
CID 18960697
N-amino-N'-ethylpyrrolidine-1-carboximidamide
CID 22977259
1,1-Dimethyl-2-(1,2,3,4-tetramethyl-2,4-dihydro-1,3,5-triazin-6-yl)hydrazine
CID 68135075
1-Amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
CID 86619747

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine?
The IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine (CID 102999139) is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine is CCN(CCCN(C)C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine?
The InChIKey is FOIULRMPUBNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c1-5-14(9(11-2)12-10)8-6-7-13(3)4/h5-8,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine?
3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine has a molecular weight of 201.32 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine is sourced from PubChem (CID 102999139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).