2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine

C8H20N4 — CID 26510

IUPAC2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN(CCN=C(N)N)C(C)C
InChIInChI=1S/C8H20N4/c1-4-12(7(2)3)6-5-11-8(9)10/h7H,4-6H2,1-3H3,(H4,9,10,11)
InChIKeyVGIQDXADOPKKBN-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.01
Rot. Bonds5

About 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine

2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 26510) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID26510
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN(CCN=C(N)N)C(C)C
InChIInChI=1S/C8H20N4/c1-4-12(7(2)3)6-5-11-8(9)10/h7H,4-6H2,1-3H3,(H4,9,10,11)
InChIKeyVGIQDXADOPKKBN-UHFFFAOYSA-N
XLogP-0.01
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(Diisopropylamino)ethyl)-1,1,3,3-tetramethylguanidine
CID 54104036
N-(2-Diethylamino-ethyl)-guanidine
CID 18645
2-[2-(Dipropylamino)ethyl]guanidine
CID 18643
2-[2-[Methyl(2-methylpropyl)amino]ethyl]guanidine
CID 26504
2-[2-[Propan-2-yl(propyl)amino]ethyl]guanidine
CID 26512
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359
2-[2-[2-Methylpropyl(propan-2-yl)amino]ethyl]guanidine
CID 56854
1-(2-(Diethylamino)ethyl)guanidine hydriodide
CID 24838560
2-[2-[Methyl(propan-2-yl)amino]ethyl]guanidine
CID 26502
Diaminomethylidene-di(propan-2-yl)azanium
CID 11299856
N,N-diethyl-1-(ethyliminomethylideneamino)propan-2-amine
CID 19435032
2-[2-(Propan-2-ylamino)ethyl]guanidine
CID 23518694

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (CID 26510) is 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is CCN(CCN=C(N)N)C(C)C.
What is the InChIKey of 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is VGIQDXADOPKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-4-12(7(2)3)6-5-11-8(9)10/h7H,4-6H2,1-3H3,(H4,9,10,11).
What are the key properties of 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 172.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 26510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).