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

C11H27N5 — CID 103192663

IUPAC3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H27N5/c1-6-8-13-11(14-12)16(7-2)10(3)9-15(4)5/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyKXHLMAIUAUCZTI-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.49
Rot. Bonds6

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

3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine (PubChem CID 103192663) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
PubChem CID103192663
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H27N5/c1-6-8-13-11(14-12)16(7-2)10(3)9-15(4)5/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyKXHLMAIUAUCZTI-UHFFFAOYSA-N
XLogP0.49
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.49
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-propylguanidine?
The IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine (CID 103192663) is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine.
What is the SMILES notation for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
The canonical SMILES for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine is CCC/N=C(\NN)N(CC)C(C)CN(C)C.
What is the InChIKey of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
The InChIKey is KXHLMAIUAUCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-6-8-13-11(14-12)16(7-2)10(3)9-15(4)5/h10H,6-9,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine?
3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine has a molecular weight of 229.37 g/mol, XLogP of 0.49, 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-propylguanidine is sourced from PubChem (CID 103192663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).