1-amino-2-(2-ethylhexyl)-3-propylguanidine

C12H28N4 — CID 107819395

IUPAC1-amino-2-(2-ethylhexyl)-3-propylguanidine
SMILESCCCCC(CC)C/N=C(/NN)NCCC
InChIInChI=1S/C12H28N4/c1-4-7-8-11(6-3)10-15-12(16-13)14-9-5-2/h11H,4-10,13H2,1-3H3,(H2,14,15,16)
InChIKeyXAVDEIUNWAWGKK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.02
Rot. Bonds8

About 1-amino-2-(2-ethylhexyl)-3-propylguanidine

1-amino-2-(2-ethylhexyl)-3-propylguanidine (PubChem CID 107819395) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-amino-2-(2-ethylhexyl)-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-ethylhexyl)-3-propylguanidine
PubChem CID107819395
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1-amino-2-(2-ethylhexyl)-3-propylguanidine
SMILESCCCCC(CC)C/N=C(/NN)NCCC
InChIInChI=1S/C12H28N4/c1-4-7-8-11(6-3)10-15-12(16-13)14-9-5-2/h11H,4-10,13H2,1-3H3,(H2,14,15,16)
InChIKeyXAVDEIUNWAWGKK-UHFFFAOYSA-N
XLogP2.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-ethyl-2-(2-ethylhexyl)-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111127604
1-ethyl-2-(2-ethylhexyl)-3-prop-2-ynylguanidine
CID 111127813
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-ethyl-2-(2-ethylhexyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111127889

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-ethylhexyl)-3-propylguanidine?
The IUPAC name of 1-amino-2-(2-ethylhexyl)-3-propylguanidine (CID 107819395) is 1-amino-2-(2-ethylhexyl)-3-propylguanidine.
What is the SMILES notation for 1-amino-2-(2-ethylhexyl)-3-propylguanidine?
The canonical SMILES for 1-amino-2-(2-ethylhexyl)-3-propylguanidine is CCCCC(CC)C/N=C(/NN)NCCC.
What is the InChIKey of 1-amino-2-(2-ethylhexyl)-3-propylguanidine?
The InChIKey is XAVDEIUNWAWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-4-7-8-11(6-3)10-15-12(16-13)14-9-5-2/h11H,4-10,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(2-ethylhexyl)-3-propylguanidine?
1-amino-2-(2-ethylhexyl)-3-propylguanidine has a molecular weight of 228.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-ethylhexyl)-3-propylguanidine is sourced from PubChem (CID 107819395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).