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

C9H23N5 — CID 103192661

IUPAC3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C(C)CN(C)C
InChIInChI=1S/C9H23N5/c1-6-14(9(11-3)12-10)8(2)7-13(4)5/h8H,6-7,10H2,1-5H3,(H,11,12)
InChIKeyBEUUBDRKGVOIEC-UHFFFAOYSA-N
MW201.32 g/mol
LogP-0.29
Rot. Bonds4

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

3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine (PubChem CID 103192661) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine
PubChem CID103192661
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C(C)CN(C)C
InChIInChI=1S/C9H23N5/c1-6-14(9(11-3)12-10)8(2)7-13(4)5/h8H,6-7,10H2,1-5H3,(H,11,12)
InChIKeyBEUUBDRKGVOIEC-UHFFFAOYSA-N
XLogP-0.29
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine?
The IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine (CID 103192661) is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine.
What is the SMILES notation for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine?
The canonical SMILES for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine is CCN(/C(=N/C)NN)C(C)CN(C)C.
What is the InChIKey of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine?
The InChIKey is BEUUBDRKGVOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c1-6-14(9(11-3)12-10)8(2)7-13(4)5/h8H,6-7,10H2,1-5H3,(H,11,12).
What are the key properties of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine?
3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine has a molecular weight of 201.32 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-methylguanidine is sourced from PubChem (CID 103192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).