3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine

C14H33N5O — CID 102999156

IUPAC3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C14H33N5O/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-13(4)12-20-5/h13H,6-12,15H2,1-5H3,(H,16,17)
InChIKeyAAMRJNZGCZFAIE-UHFFFAOYSA-N
MW287.45 g/mol
LogP0.89
Rot. Bonds10

About 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine

3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 102999156) has the molecular formula C14H33N5O and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
PubChem CID102999156
Molecular FormulaC14H33N5O
Molecular Weight287.45 g/mol
Exact Mass287.27
IUPAC Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C14H33N5O/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-13(4)12-20-5/h13H,6-12,15H2,1-5H3,(H,16,17)
InChIKeyAAMRJNZGCZFAIE-UHFFFAOYSA-N
XLogP0.89
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (CID 102999156) is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine is CCN(CC)CCCN(CC)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is AAMRJNZGCZFAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5O/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-13(4)12-20-5/h13H,6-12,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 287.45 g/mol, XLogP of 0.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 102999156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).