3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine

C10H25N5 — CID 103192667

IUPAC3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
SMILESCC/N=C(\NN)N(CC)C(C)CN(C)C
InChIInChI=1S/C10H25N5/c1-6-12-10(13-11)15(7-2)9(3)8-14(4)5/h9H,6-8,11H2,1-5H3,(H,12,13)
InChIKeyNDUNCCUGHSNSNF-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.10
Rot. Bonds5

About 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine

3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine (PubChem CID 103192667) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine.

Molecular Properties

Compound Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
PubChem CID103192667
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
SMILESCC/N=C(\NN)N(CC)C(C)CN(C)C
InChIInChI=1S/C10H25N5/c1-6-12-10(13-11)15(7-2)9(3)8-14(4)5/h9H,6-8,11H2,1-5H3,(H,12,13)
InChIKeyNDUNCCUGHSNSNF-UHFFFAOYSA-N
XLogP0.10
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.10
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-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine
CID 104887436
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
CID 103189435
1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103189428
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104887509
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-ethyl-1,2-di(propan-2-yl)guanidine
CID 104883546
3-amino-1-cyclopropyl-1,2-diethylguanidine
CID 104883636
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
2-ethyl-1,1-dimethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203341

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine?
The IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine (CID 103192667) is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine.
What is the SMILES notation for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine?
The canonical SMILES for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine is CC/N=C(\NN)N(CC)C(C)CN(C)C.
What is the InChIKey of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine?
The InChIKey is NDUNCCUGHSNSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-6-12-10(13-11)15(7-2)9(3)8-14(4)5/h9H,6-8,11H2,1-5H3,(H,12,13).
What are the key properties of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine?
3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine has a molecular weight of 215.34 g/mol, XLogP of 0.10, 5 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]-1,2-diethylguanidine is sourced from PubChem (CID 103192667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).