2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine

C12H28N4O — CID 75533050

IUPAC2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC/N=C(\N)NC(C)COC)C(C)C
InChIInChI=1S/C12H28N4O/c1-6-16(10(2)3)8-7-14-12(13)15-11(4)9-17-5/h10-11H,6-9H2,1-5H3,(H3,13,14,15)
InChIKeyGHUHVJHQWMARHI-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.66
Rot. Bonds8

About 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine

2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 75533050) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine
PubChem CID75533050
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC/N=C(\N)NC(C)COC)C(C)C
InChIInChI=1S/C12H28N4O/c1-6-16(10(2)3)8-7-14-12(13)15-11(4)9-17-5/h10-11H,6-9H2,1-5H3,(H3,13,14,15)
InChIKeyGHUHVJHQWMARHI-UHFFFAOYSA-N
XLogP0.66
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine (CID 75533050) is 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine is CCN(CC/N=C(\N)NC(C)COC)C(C)C.
What is the InChIKey of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is GHUHVJHQWMARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-6-16(10(2)3)8-7-14-12(13)15-11(4)9-17-5/h10-11H,6-9H2,1-5H3,(H3,13,14,15).
What are the key properties of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine?
2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 244.38 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 75533050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).