1-amino-2-(3-butoxypropyl)guanidine

C8H20N4O — CID 104864981

IUPAC1-amino-2-(3-butoxypropyl)guanidine
SMILESCCCCOCCC/N=C(\N)NN
InChIInChI=1S/C8H20N4O/c1-2-3-6-13-7-4-5-11-8(9)12-10/h2-7,10H2,1H3,(H3,9,11,12)
InChIKeySTRNIEOGZSCLHH-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.03
Rot. Bonds7

About 1-amino-2-(3-butoxypropyl)guanidine

1-amino-2-(3-butoxypropyl)guanidine (PubChem CID 104864981) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-2-(3-butoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-butoxypropyl)guanidine
PubChem CID104864981
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-2-(3-butoxypropyl)guanidine
SMILESCCCCOCCC/N=C(\N)NN
InChIInChI=1S/C8H20N4O/c1-2-3-6-13-7-4-5-11-8(9)12-10/h2-7,10H2,1H3,(H3,9,11,12)
InChIKeySTRNIEOGZSCLHH-UHFFFAOYSA-N
XLogP-0.03
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-amino-2-propylguanidine;hydrochloride
CID 173441996
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
CID 104929458
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-octyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057677

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-butoxypropyl)guanidine?
The IUPAC name of 1-amino-2-(3-butoxypropyl)guanidine (CID 104864981) is 1-amino-2-(3-butoxypropyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-butoxypropyl)guanidine?
The canonical SMILES for 1-amino-2-(3-butoxypropyl)guanidine is CCCCOCCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(3-butoxypropyl)guanidine?
The InChIKey is STRNIEOGZSCLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-2-3-6-13-7-4-5-11-8(9)12-10/h2-7,10H2,1H3,(H3,9,11,12).
What are the key properties of 1-amino-2-(3-butoxypropyl)guanidine?
1-amino-2-(3-butoxypropyl)guanidine has a molecular weight of 188.27 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-butoxypropyl)guanidine is sourced from PubChem (CID 104864981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).