2-[2-[ethyl(propyl)amino]ethyl]guanidine

C8H20N4 — CID 103718965

IUPAC2-[2-[ethyl(propyl)amino]ethyl]guanidine
SMILESCCCN(CC)CCN=C(N)N
InChIInChI=1S/C8H20N4/c1-3-6-12(4-2)7-5-11-8(9)10/h3-7H2,1-2H3,(H4,9,10,11)
InChIKeyRJHBTFSRFWVCLS-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.01
Rot. Bonds6

About 2-[2-[ethyl(propyl)amino]ethyl]guanidine

2-[2-[ethyl(propyl)amino]ethyl]guanidine (PubChem CID 103718965) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-[2-[ethyl(propyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[ethyl(propyl)amino]ethyl]guanidine
PubChem CID103718965
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-[2-[ethyl(propyl)amino]ethyl]guanidine
SMILESCCCN(CC)CCN=C(N)N
InChIInChI=1S/C8H20N4/c1-3-6-12(4-2)7-5-11-8(9)10/h3-7H2,1-2H3,(H4,9,10,11)
InChIKeyRJHBTFSRFWVCLS-UHFFFAOYSA-N
XLogP-0.01
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
1-(3,5-dimethylphenyl)-2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 111600608
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
1-ethyl-1,2-dipropylguanidine
CID 62359189
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N,N-diethylpropan-1-amine;methane
CID 144711865

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[ethyl(propyl)amino]ethyl]guanidine (CID 103718965) is 2-[2-[ethyl(propyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[ethyl(propyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[ethyl(propyl)amino]ethyl]guanidine is CCCN(CC)CCN=C(N)N.
What is the InChIKey of 2-[2-[ethyl(propyl)amino]ethyl]guanidine?
The InChIKey is RJHBTFSRFWVCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-3-6-12(4-2)7-5-11-8(9)10/h3-7H2,1-2H3,(H4,9,10,11).
What are the key properties of 2-[2-[ethyl(propyl)amino]ethyl]guanidine?
2-[2-[ethyl(propyl)amino]ethyl]guanidine has a molecular weight of 172.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propyl)amino]ethyl]guanidine is sourced from PubChem (CID 103718965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).