1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine

C14H33N5O — CID 104882909

IUPAC1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H33N5O/c1-6-20-11-7-8-16-14(18-15)17-9-10-19(12(2)3)13(4)5/h12-13H,6-11,15H2,1-5H3,(H2,16,17,18)
InChIKeyLCZAXFAVMCRFFN-UHFFFAOYSA-N
MW287.45 g/mol
LogP0.94
Rot. Bonds10

About 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine

1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine (PubChem CID 104882909) has the molecular formula C14H33N5O and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
PubChem CID104882909
Molecular FormulaC14H33N5O
Molecular Weight287.45 g/mol
Exact Mass287.27
IUPAC Name1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H33N5O/c1-6-20-11-7-8-16-14(18-15)17-9-10-19(12(2)3)13(4)5/h12-13H,6-11,15H2,1-5H3,(H2,16,17,18)
InChIKeyLCZAXFAVMCRFFN-UHFFFAOYSA-N
XLogP0.94
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111513366
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224305
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111247906
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
2-(3-ethoxypropyl)-1-ethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine;hydroiodide
CID 111222196
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 104885638
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643071
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine (CID 104882909) is 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine?
The InChIKey is LCZAXFAVMCRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5O/c1-6-20-11-7-8-16-14(18-15)17-9-10-19(12(2)3)13(4)5/h12-13H,6-11,15H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine?
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine has a molecular weight of 287.45 g/mol, XLogP of 0.94, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).