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

C7H18N4 — CID 26502

IUPAC2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(2)11(3)5-4-10-7(8)9/h6H,4-5H2,1-3H3,(H4,8,9,10)
InChIKeyBMJXKPVACIHZGX-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.40
Rot. Bonds4

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

2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 26502) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID26502
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(2)11(3)5-4-10-7(8)9/h6H,4-5H2,1-3H3,(H4,8,9,10)
InChIKeyBMJXKPVACIHZGX-UHFFFAOYSA-N
XLogP-0.40
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.40
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

N-(2-Diethylamino-ethyl)-guanidine
CID 18645
2-[2-(Dipropylamino)ethyl]guanidine
CID 18643
2-(Diaminomethylideneamino)ethyl-trimethylazanium
CID 56290
Diguanidinobutan
CID 129634450
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
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
Diaminomethylidene-di(propan-2-yl)azanium
CID 11299856
1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
CID 21027223
2-[2-(Propan-2-ylamino)ethyl]guanidine
CID 23518694

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 26502) is 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is CC(C)N(C)CCN=C(N)N.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is BMJXKPVACIHZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-6(2)11(3)5-4-10-7(8)9/h6H,4-5H2,1-3H3,(H4,8,9,10).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 158.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 26502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).