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

C12H29N5 — CID 103192659

IUPAC3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(/C(=N/CC(C)C)NN)C(C)CN(C)C
InChIInChI=1S/C12H29N5/c1-7-17(11(4)9-16(5)6)12(15-13)14-8-10(2)3/h10-11H,7-9,13H2,1-6H3,(H,14,15)
InChIKeyJSIVTOZUGNCFBJ-UHFFFAOYSA-N
MW243.40 g/mol
LogP0.73
Rot. Bonds6

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

3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 103192659) has the molecular formula C12H29N5 and a molecular weight of 243.40 g/mol. Its IUPAC name is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine
PubChem CID103192659
Molecular FormulaC12H29N5
Molecular Weight243.40 g/mol
Exact Mass243.24
IUPAC Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(/C(=N/CC(C)C)NN)C(C)CN(C)C
InChIInChI=1S/C12H29N5/c1-7-17(11(4)9-16(5)6)12(15-13)14-8-10(2)3/h10-11H,7-9,13H2,1-6H3,(H,14,15)
InChIKeyJSIVTOZUGNCFBJ-UHFFFAOYSA-N
XLogP0.73
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 50.73
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-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine (CID 103192659) is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine is CCN(/C(=N/CC(C)C)NN)C(C)CN(C)C.
What is the InChIKey of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is JSIVTOZUGNCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N5/c1-7-17(11(4)9-16(5)6)12(15-13)14-8-10(2)3/h10-11H,7-9,13H2,1-6H3,(H,14,15).
What are the key properties of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine?
3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 243.40 g/mol, XLogP of 0.73, 6 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-(2-methylpropyl)guanidine is sourced from PubChem (CID 103192659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).